 Entering Gaussian System, Link 0=g16
 Input=34_Cutfc2_180_STD_B3LYPDBJ-augccpVDZr.in
 Output=34_Cutfc2_180_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/34_Cutfc2_180_STD/Gau-9821.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/34_Cutfc2_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9822.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=120GB
 %chk=34_Cutfc2_180_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=(Acc2E=11,UltraFineGri
 d) SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=(MaxIn
 v=10000,RdFreq)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,27=11,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,87=11,98=1/2;
 8/6=4,10=90,11=11,87=11/1;
 10/11=10000,13=10,49=112,72=3,87=11/2;
 6/7=2,8=2,9=2,10=2,28=1,87=11/1;
 7/8=1,25=21,87=11/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 26 09:34:35 2021, MaxMem= 16106127360 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "34_Cutfc2_180_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 2
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 5.099189000000      0.440206000000     -1.428409000000
  C                                                 4.731367000000     -0.240607000000     -0.085627000000
  C                                                 3.223966000000     -0.413575000000     -0.107245000000
  C                                                 2.685578000000      0.888598000000      0.050956000000
  C                                                 3.857708000000      1.846944000000      0.170466000000
  C                                                 4.459164000000      1.846107000000     -1.275796000000
  C                                                 4.878568000000      0.930415000000      0.934933000000
  O                                                 1.485437000000      1.253491000000      0.059935000000
  Cu                                                0.000100000000      0.000628000000     -0.111188000000
  O                                                 1.155806000000     -1.546914000000     -0.283129000000
  C                                                 2.427016000000     -1.519432000000     -0.275967000000
  C                                                 3.097988000000     -2.895910000000     -0.446361000000
  F                                                 3.746500000000     -3.253326000000      0.684028000000
  C                                                 3.525621000000      3.209255000000      0.729727000000
  C                                                 6.288600000000      1.512264000000      1.023048000000
  C                                                 4.431398000000      0.565329000000      2.351712000000
  O                                                -1.484776000000     -1.252395000000      0.062240000000
  C                                                -2.685073000000     -0.888091000000      0.052533000000
  C                                                -3.856654000000     -1.847121000000      0.171372000000
  C                                                -4.879081000000     -0.931125000000      0.934122000000
  C                                                -4.731450000000      0.239700000000     -0.086568000000
  C                                                -3.224067000000      0.413721000000     -0.106548000000
  C                                                -5.096948000000     -0.441777000000     -1.429742000000
  C                                                -4.456232000000     -1.847217000000     -1.275752000000
  C                                                -4.434200000000     -0.565116000000      2.351407000000
  C                                                -6.288814000000     -1.513979000000      1.020449000000
  C                                                -3.524139000000     -3.208880000000      0.731602000000
  C                                                -2.427505000000      1.519898000000     -0.275246000000
  C                                                -3.098928000000      2.896075000000     -0.446098000000
  F                                                -3.748035000000      3.253436000000      0.683949000000
  O                                                -1.156290000000      1.547906000000     -0.282123000000
  F                                                -4.015383000000      2.869040000000     -1.437941000000
  F                                                -2.221369000000      3.854951000000     -0.731289000000
  F                                                 2.220196000000     -3.854504000000     -0.731746000000
  F                                                 4.014874000000     -2.869434000000     -1.437825000000
  H                                                -5.193611000000     -2.645511000000     -1.356540000000
  H                                                -3.684327000000     -2.048367000000     -2.018226000000
  H                                                -6.176309000000     -0.504616000000     -1.564390000000
  H                                                -4.693640000000      0.114211000000     -2.273497000000
  H                                                -5.304693000000      1.133517000000      0.143304000000
  H                                                -3.427207000000     -0.151786000000      2.387118000000
  H                                                -4.460809000000     -1.442475000000      3.000035000000
  H                                                -5.110963000000      0.178663000000      2.776572000000
  H                                                -6.681562000000     -1.855923000000      0.066139000000
  H                                                -6.976490000000     -0.760930000000      1.411632000000
  H                                                -6.307299000000     -2.360780000000      1.708786000000
  H                                                -2.775352000000     -3.706325000000      0.114374000000
  H                                                -4.414073000000     -3.839066000000      0.763825000000
  H                                                -3.117149000000     -3.135162000000      1.740847000000
  H                                                 4.455851000000      1.443442000000      2.999407000000
  H                                                 3.424754000000      0.151031000000      2.385787000000
  H                                                 5.108062000000     -0.177342000000      2.778949000000
  H                                                 6.306680000000      2.359398000000      1.710998000000
  H                                                 6.975033000000      0.758853000000      1.415687000000
  H                                                 6.683210000000      1.853370000000      0.069195000000
  H                                                 6.178793000000      0.502379000000     -1.561409000000
  H                                                 4.696804000000     -0.115850000000     -2.272564000000
  H                                                 3.688368000000      2.047471000000     -2.019358000000
  H                                                 5.197113000000      2.643970000000     -1.355751000000
  H                                                 5.303585000000     -1.134834000000      0.145257000000
  H                                                 4.416122000000      3.838641000000      0.762925000000
  H                                                 2.778203000000      3.707158000000      0.111199000000
  H                                                 3.117094000000      3.136380000000      1.738400000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     63 NQM=       63 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          16          63          16
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  62.9295992  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           3           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000  25.5200000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000 -22.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.2233000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000  29.0000000   8.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          19          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  18.9984033  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           1           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   6.7500000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.6288670   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   9.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          19
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  18.9984033
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   6.7500000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.6288670
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   9.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=          16          19          19          19          19           1           1           1           1           1
 AtmWgt=  15.9949146  18.9984033  18.9984033  18.9984033  18.9984033   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   5.6000000   6.7500000   6.7500000   6.7500000   6.7500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.6288670   2.6288670   2.6288670   2.6288670   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   9.0000000   9.0000000   9.0000000   9.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        61          62          63
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 26 09:34:36 2021, MaxMem= 16106127360 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
 Stoichiometry    C24H28CuF6O4(2)
 Framework group  C1[X(C24H28CuF6O4)]
 Deg. of freedom   183
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        5.099189    0.440206   -1.428409
      2          6           0        4.731367   -0.240607   -0.085627
      3          6           0        3.223966   -0.413575   -0.107245
      4          6           0        2.685578    0.888598    0.050956
      5          6           0        3.857708    1.846944    0.170466
      6          6           0        4.459164    1.846107   -1.275796
      7          6           0        4.878568    0.930415    0.934933
      8          8           0        1.485437    1.253491    0.059935
      9         29           0        0.000100    0.000628   -0.111188
     10          8           0        1.155806   -1.546914   -0.283129
     11          6           0        2.427016   -1.519432   -0.275967
     12          6           0        3.097988   -2.895910   -0.446361
     13          9           0        3.746500   -3.253326    0.684028
     14          6           0        3.525621    3.209255    0.729727
     15          6           0        6.288600    1.512264    1.023048
     16          6           0        4.431398    0.565329    2.351712
     17          8           0       -1.484776   -1.252395    0.062240
     18          6           0       -2.685073   -0.888091    0.052533
     19          6           0       -3.856654   -1.847121    0.171372
     20          6           0       -4.879081   -0.931125    0.934122
     21          6           0       -4.731450    0.239700   -0.086568
     22          6           0       -3.224067    0.413721   -0.106548
     23          6           0       -5.096948   -0.441777   -1.429742
     24          6           0       -4.456232   -1.847217   -1.275752
     25          6           0       -4.434200   -0.565116    2.351407
     26          6           0       -6.288814   -1.513979    1.020449
     27          6           0       -3.524139   -3.208880    0.731602
     28          6           0       -2.427505    1.519898   -0.275246
     29          6           0       -3.098928    2.896075   -0.446098
     30          9           0       -3.748035    3.253436    0.683949
     31          8           0       -1.156290    1.547906   -0.282123
     32          9           0       -4.015383    2.869040   -1.437941
     33          9           0       -2.221369    3.854951   -0.731289
     34          9           0        2.220196   -3.854504   -0.731746
     35          9           0        4.014874   -2.869434   -1.437825
     36          1           0       -5.193611   -2.645511   -1.356540
     37          1           0       -3.684327   -2.048367   -2.018226
     38          1           0       -6.176309   -0.504616   -1.564390
     39          1           0       -4.693640    0.114211   -2.273497
     40          1           0       -5.304693    1.133517    0.143304
     41          1           0       -3.427207   -0.151786    2.387118
     42          1           0       -4.460809   -1.442475    3.000035
     43          1           0       -5.110963    0.178663    2.776572
     44          1           0       -6.681562   -1.855923    0.066139
     45          1           0       -6.976490   -0.760930    1.411632
     46          1           0       -6.307299   -2.360780    1.708786
     47          1           0       -2.775352   -3.706325    0.114374
     48          1           0       -4.414073   -3.839066    0.763825
     49          1           0       -3.117149   -3.135162    1.740847
     50          1           0        4.455851    1.443442    2.999407
     51          1           0        3.424754    0.151031    2.385787
     52          1           0        5.108062   -0.177342    2.778949
     53          1           0        6.306680    2.359398    1.710998
     54          1           0        6.975033    0.758853    1.415687
     55          1           0        6.683210    1.853370    0.069195
     56          1           0        6.178793    0.502379   -1.561409
     57          1           0        4.696804   -0.115850   -2.272564
     58          1           0        3.688368    2.047471   -2.019358
     59          1           0        5.197113    2.643970   -1.355751
     60          1           0        5.303585   -1.134834    0.145257
     61          1           0        4.416122    3.838641    0.762925
     62          1           0        2.778203    3.707158    0.111199
     63          1           0        3.117094    3.136380    1.738400
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.1806786           0.0651713           0.0528734
 Leave Link  202 at Thu Aug 26 09:34:36 2021, MaxMem= 16106127360 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      36     37     38     39     40     41     42     43     44     45
 Centers:      46     47     48     49     50     51     52     53     54     55
 Centers:      56     57     58     59     60     61     62     63
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     14
 Centers:      15     16     18     19     20     21     22     23     24     25
 Centers:      26     27     28     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8     10     17     31
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     30     32     33     34     35
 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients=  7.2100000000D-04
     Exponent=  2.2070000000D+03 Coefficients=  5.5530000000D-03
     Exponent=  5.0280000000D+02 Coefficients=  2.8267000000D-02
     Exponent=  1.4260000000D+02 Coefficients=  1.0644400000D-01
     Exponent=  4.6470000000D+01 Coefficients=  2.8681400000D-01
     Exponent=  1.6700000000D+01 Coefficients=  4.4864100000D-01
     Exponent=  6.3560000000D+00 Coefficients=  2.6476100000D-01
     Exponent=  1.3160000000D+00 Coefficients=  1.5333000000D-02
     Exponent=  3.8970000000D-01 Coefficients= -2.3320000000D-03
 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients= -1.6500000000D-04
     Exponent=  2.2070000000D+03 Coefficients= -1.3080000000D-03
     Exponent=  5.0280000000D+02 Coefficients= -6.4950000000D-03
     Exponent=  1.4260000000D+02 Coefficients= -2.6691000000D-02
     Exponent=  4.6470000000D+01 Coefficients= -7.3690000000D-02
     Exponent=  1.6700000000D+01 Coefficients= -1.7077600000D-01
     Exponent=  6.3560000000D+00 Coefficients= -1.1232700000D-01
     Exponent=  1.3160000000D+00 Coefficients=  5.6281400000D-01
     Exponent=  3.8970000000D-01 Coefficients=  5.6877800000D-01
 S 1 1.00
     Exponent=  3.8970000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.8630000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  2.2670000000D+01 Coefficients=  4.4878000000D-02
     Exponent=  4.9770000000D+00 Coefficients=  2.3571800000D-01
     Exponent=  1.3470000000D+00 Coefficients=  5.0852100000D-01
     Exponent=  3.4710000000D-01 Coefficients=  4.5812000000D-01
 P 1 1.00
     Exponent=  3.4710000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.5020000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6400000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6400000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients=  7.8010260000D-06
     Exponent=  8.1316650000D+05 Coefficients=  6.0656660000D-05
     Exponent=  1.8505440000D+05 Coefficients=  3.1889640000D-04
     Exponent=  5.2414660000D+04 Coefficients=  1.3446870000D-03
     Exponent=  1.7098680000D+04 Coefficients=  4.8690500000D-03
     Exponent=  6.1719940000D+03 Coefficients=  1.5610130000D-02
     Exponent=  2.4064810000D+03 Coefficients=  4.4520770000D-02
     Exponent=  9.9725840000D+02 Coefficients=  1.1031110000D-01
     Exponent=  4.3392890000D+02 Coefficients=  2.2203420000D-01
     Exponent=  1.9628690000D+02 Coefficients=  3.1337390000D-01
     Exponent=  9.1042800000D+01 Coefficients=  2.3151210000D-01
     Exponent=  4.1384250000D+01 Coefficients=  7.6409200000D-02
     Exponent=  1.9932780000D+01 Coefficients=  1.1038180000D-01
     Exponent=  9.5818910000D+00 Coefficients=  1.0943720000D-01
     Exponent=  4.2345160000D+00 Coefficients=  1.8363110000D-02
     Exponent=  1.9858140000D+00 Coefficients= -6.0430840000D-04
     Exponent=  8.6708300000D-01 Coefficients=  5.0922450000D-05
     Exponent=  1.8133900000D-01 Coefficients= -5.5407300000D-05
     Exponent=  8.3657000000D-02 Coefficients=  3.9694820000D-05
     Exponent=  3.6267000000D-02 Coefficients= -1.2695380000D-05
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -4.4047060000D-06
     Exponent=  8.1316650000D+05 Coefficients= -3.4248010000D-05
     Exponent=  1.8505440000D+05 Coefficients= -1.8012380000D-04
     Exponent=  5.2414660000D+04 Coefficients= -7.6004550000D-04
     Exponent=  1.7098680000D+04 Coefficients= -2.7593480000D-03
     Exponent=  6.1719940000D+03 Coefficients= -8.9009700000D-03
     Exponent=  2.4064810000D+03 Coefficients= -2.5793780000D-02
     Exponent=  9.9725840000D+02 Coefficients= -6.6238610000D-02
     Exponent=  4.3392890000D+02 Coefficients= -1.4459270000D-01
     Exponent=  1.9628690000D+02 Coefficients= -2.4401100000D-01
     Exponent=  9.1042800000D+01 Coefficients= -2.5048370000D-01
     Exponent=  4.1384250000D+01 Coefficients=  2.8525770000D-02
     Exponent=  1.9932780000D+01 Coefficients=  5.1158740000D-01
     Exponent=  9.5818910000D+00 Coefficients=  4.9280610000D-01
     Exponent=  4.2345160000D+00 Coefficients=  8.7884370000D-02
     Exponent=  1.9858140000D+00 Coefficients= -5.8202810000D-03
     Exponent=  8.6708300000D-01 Coefficients=  2.0135080000D-04
     Exponent=  1.8133900000D-01 Coefficients= -5.1825530000D-04
     Exponent=  8.3657000000D-02 Coefficients=  3.7315030000D-04
     Exponent=  3.6267000000D-02 Coefficients= -1.1931710000D-04
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients=  9.7046820000D-07
     Exponent=  8.1316650000D+05 Coefficients=  7.5492450000D-06
     Exponent=  1.8505440000D+05 Coefficients=  3.9688920000D-05
     Exponent=  5.2414660000D+04 Coefficients=  1.6772000000D-04
     Exponent=  1.7098680000D+04 Coefficients=  6.0951010000D-04
     Exponent=  6.1719940000D+03 Coefficients=  1.9788460000D-03
     Exponent=  2.4064810000D+03 Coefficients=  5.7980490000D-03
     Exponent=  9.9725840000D+02 Coefficients=  1.5341580000D-02
     Exponent=  4.3392890000D+02 Coefficients=  3.5404840000D-02
     Exponent=  1.9628690000D+02 Coefficients=  6.7020980000D-02
     Exponent=  9.1042800000D+01 Coefficients=  8.0269450000D-02
     Exponent=  4.1384250000D+01 Coefficients= -1.9272310000D-02
     Exponent=  1.9932780000D+01 Coefficients= -3.1601290000D-01
     Exponent=  9.5818910000D+00 Coefficients= -4.5731620000D-01
     Exponent=  4.2345160000D+00 Coefficients=  1.5508410000D-01
     Exponent=  1.9858140000D+00 Coefficients=  7.2028720000D-01
     Exponent=  8.6708300000D-01 Coefficients=  3.8851220000D-01
     Exponent=  1.8133900000D-01 Coefficients=  1.9243260000D-02
     Exponent=  8.3657000000D-02 Coefficients= -7.1038070000D-03
     Exponent=  3.6267000000D-02 Coefficients=  3.2729060000D-03
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -1.9593540000D-07
     Exponent=  8.1316650000D+05 Coefficients= -1.5234720000D-06
     Exponent=  1.8505440000D+05 Coefficients= -8.0148080000D-06
     Exponent=  5.2414660000D+04 Coefficients= -3.3839920000D-05
     Exponent=  1.7098680000D+04 Coefficients= -1.2311910000D-04
     Exponent=  6.1719940000D+03 Coefficients= -3.9920850000D-04
     Exponent=  2.4064810000D+03 Coefficients= -1.1719000000D-03
     Exponent=  9.9725840000D+02 Coefficients= -3.0961410000D-03
     Exponent=  4.3392890000D+02 Coefficients= -7.1719930000D-03
     Exponent=  1.9628690000D+02 Coefficients= -1.3566210000D-02
     Exponent=  9.1042800000D+01 Coefficients= -1.6439890000D-02
     Exponent=  4.1384250000D+01 Coefficients=  4.1076280000D-03
     Exponent=  1.9932780000D+01 Coefficients=  6.6939640000D-02
     Exponent=  9.5818910000D+00 Coefficients=  1.0282210000D-01
     Exponent=  4.2345160000D+00 Coefficients= -4.4229450000D-02
     Exponent=  1.9858140000D+00 Coefficients= -2.0311910000D-01
     Exponent=  8.6708300000D-01 Coefficients= -2.2300220000D-01
     Exponent=  1.8133900000D-01 Coefficients=  2.5179750000D-01
     Exponent=  8.3657000000D-02 Coefficients=  5.6500910000D-01
     Exponent=  3.6267000000D-02 Coefficients=  3.2472430000D-01
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -3.5322290000D-07
     Exponent=  8.1316650000D+05 Coefficients= -2.7988120000D-06
     Exponent=  1.8505440000D+05 Coefficients= -1.4325170000D-05
     Exponent=  5.2414660000D+04 Coefficients= -6.2709460000D-05
     Exponent=  1.7098680000D+04 Coefficients= -2.1794900000D-04
     Exponent=  6.1719940000D+03 Coefficients= -7.4743160000D-04
     Exponent=  2.4064810000D+03 Coefficients= -2.0492710000D-03
     Exponent=  9.9725840000D+02 Coefficients= -5.8852030000D-03
     Exponent=  4.3392890000D+02 Coefficients= -1.2268850000D-02
     Exponent=  1.9628690000D+02 Coefficients= -2.6831470000D-02
     Exponent=  9.1042800000D+01 Coefficients= -2.4792610000D-02
     Exponent=  4.1384250000D+01 Coefficients= -5.9847460000D-03
     Exponent=  1.9932780000D+01 Coefficients=  1.5571240000D-01
     Exponent=  9.5818910000D+00 Coefficients=  1.4366830000D-01
     Exponent=  4.2345160000D+00 Coefficients=  8.3741030000D-03
     Exponent=  1.9858140000D+00 Coefficients= -7.4607110000D-01
     Exponent=  8.6708300000D-01 Coefficients=  1.2443670000D-01
     Exponent=  1.8133900000D-01 Coefficients=  1.5101100000D+00
     Exponent=  8.3657000000D-02 Coefficients= -3.4771220000D-01
     Exponent=  3.6267000000D-02 Coefficients= -9.7741690000D-01
 S 1 1.00
     Exponent=  3.6267000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5720000000D-02 Coefficients=  1.0000000000D+00
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  4.0000000000D-05
     Exponent=  5.3876790000D+03 Coefficients=  3.6100000000D-04
     Exponent=  1.7499450000D+03 Coefficients=  2.0830000000D-03
     Exponent=  6.6966530000D+02 Coefficients=  9.1970000000D-03
     Exponent=  2.8419480000D+02 Coefficients=  3.2660000000D-02
     Exponent=  1.2960770000D+02 Coefficients=  9.3795000000D-02
     Exponent=  6.2254150000D+01 Coefficients=  2.0827400000D-01
     Exponent=  3.0929640000D+01 Coefficients=  3.3399300000D-01
     Exponent=  1.5758270000D+01 Coefficients=  3.3249300000D-01
     Exponent=  8.0942110000D+00 Coefficients=  1.5472800000D-01
     Exponent=  4.0469210000D+00 Coefficients=  2.1271000000D-02
     Exponent=  1.9678690000D+00 Coefficients= -1.6900000000D-03
     Exponent=  9.2529500000D-01 Coefficients= -1.5160000000D-03
     Exponent=  3.5299200000D-01 Coefficients= -2.4200000000D-04
     Exponent=  1.2730700000D-01 Coefficients=  2.3000000000D-05
     Exponent=  4.4356000000D-02 Coefficients= -9.0000000000D-06
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients= -1.5000000000D-05
     Exponent=  5.3876790000D+03 Coefficients= -1.3100000000D-04
     Exponent=  1.7499450000D+03 Coefficients= -7.5500000000D-04
     Exponent=  6.6966530000D+02 Coefficients= -3.3590000000D-03
     Exponent=  2.8419480000D+02 Coefficients= -1.2081000000D-02
     Exponent=  1.2960770000D+02 Coefficients= -3.5703000000D-02
     Exponent=  6.2254150000D+01 Coefficients= -8.2502000000D-02
     Exponent=  3.0929640000D+01 Coefficients= -1.3989000000D-01
     Exponent=  1.5758270000D+01 Coefficients= -1.4072900000D-01
     Exponent=  8.0942110000D+00 Coefficients=  3.8766000000D-02
     Exponent=  4.0469210000D+00 Coefficients=  3.4269500000D-01
     Exponent=  1.9678690000D+00 Coefficients=  4.5231000000D-01
     Exponent=  9.2529500000D-01 Coefficients=  2.7705400000D-01
     Exponent=  3.5299200000D-01 Coefficients=  4.3885000000D-02
     Exponent=  1.2730700000D-01 Coefficients= -2.8020000000D-03
     Exponent=  4.4356000000D-02 Coefficients=  1.1520000000D-03
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  3.0000000000D-06
     Exponent=  5.3876790000D+03 Coefficients=  2.5000000000D-05
     Exponent=  1.7499450000D+03 Coefficients=  1.4700000000D-04
     Exponent=  6.6966530000D+02 Coefficients=  6.5600000000D-04
     Exponent=  2.8419480000D+02 Coefficients=  2.3510000000D-03
     Exponent=  1.2960770000D+02 Coefficients=  7.0040000000D-03
     Exponent=  6.2254150000D+01 Coefficients=  1.6131000000D-02
     Exponent=  3.0929640000D+01 Coefficients=  2.7770000000D-02
     Exponent=  1.5758270000D+01 Coefficients=  2.7567000000D-02
     Exponent=  8.0942110000D+00 Coefficients= -1.0115000000D-02
     Exponent=  4.0469210000D+00 Coefficients= -8.1009000000D-02
     Exponent=  1.9678690000D+00 Coefficients= -1.1040900000D-01
     Exponent=  9.2529500000D-01 Coefficients= -7.1732000000D-02
     Exponent=  3.5299200000D-01 Coefficients=  1.8793000000D-01
     Exponent=  1.2730700000D-01 Coefficients=  5.6462900000D-01
     Exponent=  4.4356000000D-02 Coefficients=  4.0700000000D-01
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  5.0000000000D-06
     Exponent=  5.3876790000D+03 Coefficients=  4.9000000000D-05
     Exponent=  1.7499450000D+03 Coefficients=  2.7800000000D-04
     Exponent=  6.6966530000D+02 Coefficients=  1.2530000000D-03
     Exponent=  2.8419480000D+02 Coefficients=  4.4470000000D-03
     Exponent=  1.2960770000D+02 Coefficients=  1.3370000000D-02
     Exponent=  6.2254150000D+01 Coefficients=  3.0469000000D-02
     Exponent=  3.0929640000D+01 Coefficients=  5.3447000000D-02
     Exponent=  1.5758270000D+01 Coefficients=  5.2639000000D-02
     Exponent=  8.0942110000D+00 Coefficients= -1.6881000000D-02
     Exponent=  4.0469210000D+00 Coefficients= -1.7944800000D-01
     Exponent=  1.9678690000D+00 Coefficients= -2.0958800000D-01
     Exponent=  9.2529500000D-01 Coefficients= -3.9633000000D-02
     Exponent=  3.5299200000D-01 Coefficients=  5.0213000000D-01
     Exponent=  1.2730700000D-01 Coefficients=  5.8111100000D-01
     Exponent=  4.4356000000D-02 Coefficients=  4.5666000000D-02
 P 1 1.00
     Exponent=  4.4356000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5450000000D-02 Coefficients=  1.0000000000D+00
 D 8 1.00
     Exponent=  1.7389700000D+02 Coefficients=  2.7000000000D-03
     Exponent=  5.1886900000D+01 Coefficients=  2.0909000000D-02
     Exponent=  1.9341900000D+01 Coefficients=  8.4408000000D-02
     Exponent=  7.9757200000D+00 Coefficients=  2.1399900000D-01
     Exponent=  3.3982300000D+00 Coefficients=  3.3598000000D-01
     Exponent=  1.4093200000D+00 Coefficients=  3.5730100000D-01
     Exponent=  5.4885800000D-01 Coefficients=  2.6457800000D-01
     Exponent=  1.9019900000D-01 Coefficients=  1.0397200000D-01
 D 8 1.00
     Exponent=  1.7389700000D+02 Coefficients= -3.3630000000D-03
     Exponent=  5.1886900000D+01 Coefficients= -2.6079000000D-02
     Exponent=  1.9341900000D+01 Coefficients= -1.0823100000D-01
     Exponent=  7.9757200000D+00 Coefficients= -2.8221700000D-01
     Exponent=  3.3982300000D+00 Coefficients= -3.4719000000D-01
     Exponent=  1.4093200000D+00 Coefficients=  2.6711000000D-02
     Exponent=  5.4885800000D-01 Coefficients=  4.9204700000D-01
     Exponent=  1.9019900000D-01 Coefficients=  4.3842200000D-01
 D 1 1.00
     Exponent=  1.9019900000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.5910000000D-02 Coefficients=  1.0000000000D+00
 F 2 1.00
     Exponent=  5.0286000000D+00 Coefficients=  4.2428000000D-01
     Exponent=  1.2594000000D+00 Coefficients=  7.6302500000D-01
 F 1 1.00
     Exponent=  4.6172000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  166 primitive shells out of 1365 were deleted.
 There are  1171 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1093 symmetry adapted basis functions of A   symmetry.
  1093 basis functions,  2248 primitive gaussians,  1171 cartesian basis functions
   144 alpha electrons      143 beta electrons
       nuclear repulsion energy      4927.4744946401 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   63 NActive=   63 NUniq=   63 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.1489454790 Hartrees.
 Nuclear repulsion after empirical dispersion term =     4927.3255491611 Hartrees.
 Leave Link  301 at Thu Aug 26 09:34:38 2021, MaxMem= 16106127360 cpu:              11.0 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=  1093 RedAO= T EigKep=  1.24D-06  NBF=  1093
 NBsUse=  1089 1.00D-06 EigRej=  8.73D-07 NBFU=  1089
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 1.00D-11.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=  1163  1163  1163  1163  1163 MxSgAt=    63 MxSgA2=    63.
 Leave Link  302 at Thu Aug 26 09:34:43 2021, MaxMem= 16106127360 cpu:              36.0 elap:               4.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 26 09:34:45 2021, MaxMem= 16106127360 cpu:               5.3 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "34_Cutfc2_180_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7526 S= 0.5013
 Leave Link  401 at Thu Aug 26 09:34:56 2021, MaxMem= 16106127360 cpu:              85.7 elap:              11.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 UHF open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16103364801 LenY= 16101992389
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=T IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  1 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FMM levels:  10  Number of levels for PrismC:   9
 E= -3472.40750591443    
 DIIS: error= 4.25D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3472.40750591443     IErMin= 1 ErrMin= 4.25D-03
 ErrMax= 4.25D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-01 BMatP= 1.21D-01
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.25D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.165 Goal=   None    Shift=    0.000
 Gap=     0.112 Goal=   None    Shift=    0.000
 GapD=    0.112 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.99D-02 MaxDP=5.59D+00              OVMax= 1.84D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.62D-02    CP:  1.45D+00
 E= -3472.42254850473     Delta-E=       -0.015042590303 Rises=F Damp=F
 DIIS: error= 2.08D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3472.42254850473     IErMin= 2 ErrMin= 2.08D-03
 ErrMax= 2.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-02 BMatP= 1.21D-01
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.08D-02
 Coeff-Com:  0.169D+00 0.831D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.165D+00 0.835D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.133 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=1.88D-01 DE=-1.50D-02 OVMax= 3.90D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.98D-04    CP:  1.46D+00  1.02D+00
 E= -3472.41674049382     Delta-E=        0.005808010912 Rises=F Damp=F
 DIIS: error= 4.64D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -3472.42254850473     IErMin= 2 ErrMin= 2.08D-03
 ErrMax= 4.64D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.33D-02 BMatP= 1.79D-02
 IDIUse=3 WtCom= 1.28D-01 WtEn= 8.72D-01
 Coeff-Com:  0.947D-02 0.683D+00 0.308D+00
 Coeff-En:   0.000D+00 0.732D+00 0.268D+00
 Coeff:      0.121D-02 0.726D+00 0.273D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=4.24D-04 MaxDP=3.89D-02 DE= 5.81D-03 OVMax= 2.72D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.33D-04    CP:  1.46D+00  1.03D+00  5.07D-01
 E= -3472.42419664711     Delta-E=       -0.007456153293 Rises=F Damp=F
 DIIS: error= 5.28D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3472.42419664711     IErMin= 4 ErrMin= 5.28D-04
 ErrMax= 5.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-03 BMatP= 1.79D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.28D-03
 Coeff-Com: -0.528D-02 0.422D+00 0.141D+00 0.443D+00
 Coeff-En:   0.000D+00 0.180D+00 0.000D+00 0.820D+00
 Coeff:     -0.525D-02 0.420D+00 0.140D+00 0.445D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=8.69D-05 MaxDP=9.58D-03 DE=-7.46D-03 OVMax= 2.53D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.02D-05    CP:  1.47D+00  1.03D+00  4.48D-01  9.92D-01
 E= -3472.42459451940     Delta-E=       -0.000397872289 Rises=F Damp=F
 DIIS: error= 8.77D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3472.42459451940     IErMin= 5 ErrMin= 8.77D-05
 ErrMax= 8.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.96D-05 BMatP= 2.71D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.299D-02 0.192D+00 0.531D-01 0.248D+00 0.510D+00
 Coeff:     -0.299D-02 0.192D+00 0.531D-01 0.248D+00 0.510D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.20D-05 MaxDP=3.89D-03 DE=-3.98D-04 OVMax= 8.11D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.80D-05    CP:  1.47D+00  1.03D+00  4.46D-01  1.03D+00  9.24D-01
 E= -3472.42460119308     Delta-E=       -0.000006673681 Rises=F Damp=F
 DIIS: error= 4.21D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3472.42460119308     IErMin= 6 ErrMin= 4.21D-05
 ErrMax= 4.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-05 BMatP= 5.96D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.801D-03 0.273D-01-0.317D-02 0.720D-01 0.373D+00 0.532D+00
 Coeff:     -0.801D-03 0.273D-01-0.317D-02 0.720D-01 0.373D+00 0.532D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=1.02D-05 MaxDP=1.29D-03 DE=-6.67D-06 OVMax= 4.35D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.38D-06    CP:  1.47D+00  1.03D+00  4.44D-01  1.04D+00  9.45D-01
                    CP:  8.29D-01
 E= -3472.42460407020     Delta-E=       -0.000002877116 Rises=F Damp=F
 DIIS: error= 1.59D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3472.42460407020     IErMin= 7 ErrMin= 1.59D-05
 ErrMax= 1.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-06 BMatP= 1.65D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.221D-04-0.123D-01-0.107D-01 0.575D-02 0.117D+00 0.262D+00
 Coeff-Com:  0.639D+00
 Coeff:      0.221D-04-0.123D-01-0.107D-01 0.575D-02 0.117D+00 0.262D+00
 Coeff:      0.639D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=4.09D-06 MaxDP=2.68D-04 DE=-2.88D-06 OVMax= 2.35D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.75D-06    CP:  1.47D+00  1.03D+00  4.43D-01  1.05D+00  9.41D-01
                    CP:  8.01D-01  9.77D-01
 E= -3472.42460428079     Delta-E=       -0.000000210586 Rises=F Damp=F
 DIIS: error= 1.10D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3472.42460428079     IErMin= 8 ErrMin= 1.10D-05
 ErrMax= 1.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.56D-07 BMatP= 1.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.133D-03-0.103D-01-0.602D-02-0.640D-02-0.275D-02 0.419D-01
 Coeff-Com:  0.372D+00 0.611D+00
 Coeff:      0.133D-03-0.103D-01-0.602D-02-0.640D-02-0.275D-02 0.419D-01
 Coeff:      0.372D+00 0.611D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.44D-06 MaxDP=2.54D-04 DE=-2.11D-07 OVMax= 1.37D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.65D-06    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.47D-01
                    CP:  8.19D-01  1.10D+00  8.51D-01
 E= -3472.42460434880     Delta-E=       -0.000000068010 Rises=F Damp=F
 DIIS: error= 4.68D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3472.42460434880     IErMin= 9 ErrMin= 4.68D-06
 ErrMax= 4.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-07 BMatP= 4.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.988D-04-0.411D-02-0.177D-02-0.626D-02-0.407D-01-0.510D-01
 Coeff-Com:  0.979D-01 0.452D+00 0.554D+00
 Coeff:      0.988D-04-0.411D-02-0.177D-02-0.626D-02-0.407D-01-0.510D-01
 Coeff:      0.979D-01 0.452D+00 0.554D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=1.19D-06 MaxDP=1.10D-04 DE=-6.80D-08 OVMax= 5.81D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.05D-07    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.44D-01
                    CP:  8.36D-01  1.13D+00  9.46D-01  9.19D-01
 E= -3472.42460437505     Delta-E=       -0.000000026255 Rises=F Damp=F
 DIIS: error= 1.34D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3472.42460437505     IErMin=10 ErrMin= 1.34D-06
 ErrMax= 1.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.92D-09 BMatP= 1.41D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.328D-04-0.719D-03-0.181D-03-0.238D-02-0.216D-01-0.339D-01
 Coeff-Com: -0.395D-02 0.153D+00 0.285D+00 0.624D+00
 Coeff:      0.328D-04-0.719D-03-0.181D-03-0.238D-02-0.216D-01-0.339D-01
 Coeff:     -0.395D-02 0.153D+00 0.285D+00 0.624D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=4.34D-07 MaxDP=4.07D-05 DE=-2.63D-08 OVMax= 2.22D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.20D-07    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.44D-01
                    CP:  8.36D-01  1.14D+00  9.77D-01  9.63D-01  1.13D+00
 E= -3472.42460437623     Delta-E=       -0.000000001179 Rises=F Damp=F
 DIIS: error= 3.26D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3472.42460437623     IErMin=11 ErrMin= 3.26D-07
 ErrMax= 3.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-09 BMatP= 9.92D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.583D-06 0.349D-03 0.207D-03-0.243D-03-0.517D-02-0.106D-01
 Coeff-Com: -0.218D-01 0.514D-02 0.637D-01 0.392D+00 0.576D+00
 Coeff:      0.583D-06 0.349D-03 0.207D-03-0.243D-03-0.517D-02-0.106D-01
 Coeff:     -0.218D-01 0.514D-02 0.637D-01 0.392D+00 0.576D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.50D-07 MaxDP=1.66D-05 DE=-1.18D-09 OVMax= 5.99D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.13D-07    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.43D-01
                    CP:  8.35D-01  1.15D+00  9.88D-01  9.88D-01  1.16D+00
                    CP:  1.20D+00
 E= -3472.42460437702     Delta-E=       -0.000000000789 Rises=F Damp=F
 DIIS: error= 9.47D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3472.42460437702     IErMin=12 ErrMin= 9.47D-08
 ErrMax= 9.47D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-10 BMatP= 2.11D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.276D-05 0.226D-03 0.114D-03 0.123D-03-0.820D-04-0.121D-02
 Coeff-Com: -0.102D-01-0.143D-01-0.285D-02 0.118D+00 0.270D+00 0.639D+00
 Coeff:     -0.276D-05 0.226D-03 0.114D-03 0.123D-03-0.820D-04-0.121D-02
 Coeff:     -0.102D-01-0.143D-01-0.285D-02 0.118D+00 0.270D+00 0.639D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.54D-07 MaxDP=2.49D-05 DE=-7.89D-10 OVMax= 1.42D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.39D-07    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.43D-01
                    CP:  8.36D-01  1.15D+00  9.96D-01  9.82D-01  1.20D+00
                    CP:  1.46D+00  1.76D+00
 E= -3472.42460437678     Delta-E=        0.000000000236 Rises=F Damp=F
 DIIS: error= 6.54D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -3472.42460437702     IErMin=13 ErrMin= 6.54D-08
 ErrMax= 6.54D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.03D-11 BMatP= 1.43D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.152D-05 0.165D-04 0.768D-05 0.118D-03 0.134D-02 0.220D-02
 Coeff-Com:  0.150D-02-0.686D-02-0.178D-01-0.525D-01-0.358D-01 0.296D+00
 Coeff-Com:  0.812D+00
 Coeff:     -0.152D-05 0.165D-04 0.768D-05 0.118D-03 0.134D-02 0.220D-02
 Coeff:      0.150D-02-0.686D-02-0.178D-01-0.525D-01-0.358D-01 0.296D+00
 Coeff:      0.812D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=3.89D-07 MaxDP=3.38D-05 DE= 2.36D-10 OVMax= 1.14D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.38D-07    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.43D-01
                    CP:  8.37D-01  1.16D+00  1.01D+00  9.84D-01  1.22D+00
                    CP:  1.85D+00  2.89D+00  2.43D+00
 E= -3472.42460437715     Delta-E=       -0.000000000371 Rises=F Damp=F
 DIIS: error= 2.82D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -3472.42460437715     IErMin=14 ErrMin= 2.82D-08
 ErrMax= 2.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.06D-12 BMatP= 4.03D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.266D-06-0.271D-04-0.125D-04 0.298D-04 0.600D-03 0.111D-02
 Coeff-Com:  0.226D-02-0.445D-03-0.646D-02-0.391D-01-0.550D-01 0.358D-01
 Coeff-Com:  0.326D+00 0.735D+00
 Coeff:     -0.266D-06-0.271D-04-0.125D-04 0.298D-04 0.600D-03 0.111D-02
 Coeff:      0.226D-02-0.445D-03-0.646D-02-0.391D-01-0.550D-01 0.358D-01
 Coeff:      0.326D+00 0.735D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=5.09D-07 MaxDP=5.28D-05 DE=-3.71D-10 OVMax= 5.30D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.36D-07    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.42D-01
                    CP:  8.39D-01  1.17D+00  1.02D+00  9.79D-01  1.22D+00
                    CP:  2.20D+00  3.00D+00  3.00D+00  2.54D+00
 E= -3472.42460437818     Delta-E=       -0.000000001026 Rises=F Damp=F
 DIIS: error= 3.18D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -3472.42460437818     IErMin=14 ErrMin= 2.82D-08
 ErrMax= 3.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-12 BMatP= 7.06D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-07-0.174D-04-0.876D-05 0.178D-05 0.149D-03 0.321D-03
 Coeff-Com:  0.103D-02 0.680D-03-0.105D-02-0.151D-01-0.275D-01-0.246D-01
 Coeff-Com:  0.593D-01 0.434D+00 0.573D+00
 Coeff:      0.319D-07-0.174D-04-0.876D-05 0.178D-05 0.149D-03 0.321D-03
 Coeff:      0.103D-02 0.680D-03-0.105D-02-0.151D-01-0.275D-01-0.246D-01
 Coeff:      0.593D-01 0.434D+00 0.573D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=4.67D-07 MaxDP=3.99D-05 DE=-1.03D-09 OVMax= 3.15D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  1.74D-07    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.41D-01
                    CP:  8.41D-01  1.18D+00  1.03D+00  9.69D-01  1.25D+00
                    CP:  2.57D+00  3.00D+00  3.00D+00  3.00D+00  2.05D+00
 E= -3472.42460437793     Delta-E=        0.000000000247 Rises=F Damp=F
 DIIS: error= 3.22D-08 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -3472.42460437818     IErMin=14 ErrMin= 2.82D-08
 ErrMax= 3.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-12 BMatP= 3.26D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.566D-08-0.121D-04-0.629D-05 0.320D-05 0.122D-03 0.258D-03
 Coeff-Com:  0.739D-03 0.359D-03-0.101D-02-0.115D-01-0.202D-01-0.134D-01
 Coeff-Com:  0.517D-01 0.304D+00 0.406D+00 0.283D+00
 Coeff:     -0.566D-08-0.121D-04-0.629D-05 0.320D-05 0.122D-03 0.258D-03
 Coeff:      0.739D-03 0.359D-03-0.101D-02-0.115D-01-0.202D-01-0.134D-01
 Coeff:      0.517D-01 0.304D+00 0.406D+00 0.283D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=1.93D-07 MaxDP=1.79D-05 DE= 2.47D-10 OVMax= 7.87D-08

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  3.96D-08    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.41D-01
                    CP:  8.42D-01  1.18D+00  1.04D+00  9.63D-01  1.26D+00
                    CP:  2.74D+00  3.00D+00  3.00D+00  3.00D+00  2.46D+00
                    CP:  1.59D+00
 E= -3472.42460437666     Delta-E=        0.000000001277 Rises=F Damp=F
 DIIS: error= 3.27D-08 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=15 EnMin= -3472.42460437818     IErMin=14 ErrMin= 2.82D-08
 ErrMax= 3.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-12 BMatP= 2.43D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.401D-08-0.127D-04-0.661D-05 0.263D-05 0.119D-03 0.255D-03
 Coeff-Com:  0.759D-03 0.418D-03-0.931D-03-0.116D-01-0.209D-01-0.160D-01
 Coeff-Com:  0.486D-01 0.318D+00 0.442D+00 0.361D+00-0.122D+00
 Coeff:      0.401D-08-0.127D-04-0.661D-05 0.263D-05 0.119D-03 0.255D-03
 Coeff:      0.759D-03 0.418D-03-0.931D-03-0.116D-01-0.209D-01-0.160D-01
 Coeff:      0.486D-01 0.318D+00 0.442D+00 0.361D+00-0.122D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=4.99D-08 MaxDP=4.77D-06 DE= 1.28D-09 OVMax= 1.33D-08

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  9.90D-09    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.41D-01
                    CP:  8.41D-01  1.18D+00  1.04D+00  9.65D-01  1.26D+00
                    CP:  2.70D+00  3.00D+00  3.00D+00  3.00D+00  2.35D+00
                    CP:  1.45D+00  5.69D-01
 E= -3472.42460437745     Delta-E=       -0.000000000791 Rises=F Damp=F
 DIIS: error= 3.26D-08 at cycle  18 NSaved=  18.
 NSaved=18 IEnMin=15 EnMin= -3472.42460437818     IErMin=14 ErrMin= 2.82D-08
 ErrMax= 3.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-12 BMatP= 2.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.634D-09-0.119D-04-0.626D-05 0.274D-05 0.113D-03 0.243D-03
 Coeff-Com:  0.709D-03 0.372D-03-0.908D-03-0.110D-01-0.197D-01-0.145D-01
 Coeff-Com:  0.466D-01 0.299D+00 0.422D+00 0.431D+00-0.891D+00 0.738D+00
 Coeff:      0.634D-09-0.119D-04-0.626D-05 0.274D-05 0.113D-03 0.243D-03
 Coeff:      0.709D-03 0.372D-03-0.908D-03-0.110D-01-0.197D-01-0.145D-01
 Coeff:      0.466D-01 0.299D+00 0.422D+00 0.431D+00-0.891D+00 0.738D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=5.32D-08 MaxDP=5.73D-06 DE=-7.91D-10 OVMax= 7.13D-09

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  4.01D-08    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.41D-01
                    CP:  8.41D-01  1.18D+00  1.03D+00  9.63D-01  1.25D+00
                    CP:  2.66D+00  3.00D+00  3.00D+00  3.00D+00  2.32D+00
                    CP:  1.40D+00  1.35D-01  3.00D+00
 E= -3472.42460437740     Delta-E=        0.000000000049 Rises=F Damp=F
 DIIS: error= 3.58D-08 at cycle  19 NSaved=  19.
 NSaved=19 IEnMin=15 EnMin= -3472.42460437818     IErMin=14 ErrMin= 2.82D-08
 ErrMax= 3.58D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-12 BMatP= 2.25D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 19 BigCof=    0.00 CofMax=   10.00 Det=-8.54D-15
 Inversion failed.  Reducing to 18 matrices.
 Large coefficients: NSaved= 18 BigCof=    0.00 CofMax=   10.00 Det=-8.54D-15
 Inversion failed.  Reducing to 17 matrices.
 Large coefficients: NSaved= 17 BigCof=    0.00 CofMax=   10.00 Det=-8.54D-15
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-8.56D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.156D-04-0.785D-05 0.237D-03 0.532D-03 0.391D-03-0.438D-02
 Coeff-Com: -0.110D-01-0.176D-01 0.128D-01 0.250D+00 0.414D+00 0.493D+00
 Coeff-Com: -0.103D+01 0.923D+00-0.325D-01
 Coeff:     -0.156D-04-0.785D-05 0.237D-03 0.532D-03 0.391D-03-0.438D-02
 Coeff:     -0.110D-01-0.176D-01 0.128D-01 0.250D+00 0.414D+00 0.493D+00
 Coeff:     -0.103D+01 0.923D+00-0.325D-01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=7.66D-08 MaxDP=6.69D-06 DE= 4.91D-11 OVMax= 2.91D-08

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  4.03D-09    CP:  1.47D+00  1.03D+00  4.42D-01  1.05D+00  9.41D-01
                    CP:  8.42D-01  1.18D+00  1.04D+00  9.61D-01  1.26D+00
                    CP:  2.73D+00  3.00D+00  3.00D+00  3.00D+00  2.48D+00
                    CP:  1.63D+00  3.38D-01  3.00D+00  1.13D+00
 E= -3472.42460437714     Delta-E=        0.000000000255 Rises=F Damp=F
 DIIS: error= 3.51D-08 at cycle  20 NSaved=  16.
 NSaved=16 IEnMin=11 EnMin= -3472.42460437818     IErMin=10 ErrMin= 2.82D-08
 ErrMax= 3.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-12 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.64D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.640D-05 0.180D-03 0.314D-03 0.202D-03-0.375D-02-0.910D-02
 Coeff-Com: -0.119D-01 0.163D-01 0.229D+00 0.361D+00 0.336D+00-0.319D+00
 Coeff-Com:  0.230D+00 0.982D+00-0.810D+00
 Coeff:      0.640D-05 0.180D-03 0.314D-03 0.202D-03-0.375D-02-0.910D-02
 Coeff:     -0.119D-01 0.163D-01 0.229D+00 0.361D+00 0.336D+00-0.319D+00
 Coeff:      0.230D+00 0.982D+00-0.810D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=4.46D-08 MaxDP=5.45D-06 DE= 2.55D-10 OVMax= 7.49D-09

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3472.42460436901     Delta-E=        0.000000008131 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  21 NSaved=  16.
 NSaved=16 IEnMin=10 EnMin= -3472.42460437818     IErMin= 9 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.73D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.165D-03 0.313D-03 0.234D-03-0.359D-02-0.891D-02-0.122D-01
 Coeff-Com:  0.153D-01 0.229D+00 0.362D+00 0.332D+00-0.296D+00 0.196D+00
 Coeff-Com:  0.103D+01-0.844D+00 0.803D-03
 Coeff:      0.165D-03 0.313D-03 0.234D-03-0.359D-02-0.891D-02-0.122D-01
 Coeff:      0.153D-01 0.229D+00 0.362D+00 0.332D+00-0.296D+00 0.196D+00
 Coeff:      0.103D+01-0.844D+00 0.803D-03
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.04D-08 MaxDP=1.93D-06 DE= 8.13D-09 OVMax= 2.98D-09

 Cycle  22  Pass 1  IDiag  1:
 RMSU=  2.04D-08    CP:  1.00D+00
 E= -3472.42460436972     Delta-E=       -0.000000000711 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  22 NSaved=  16.
 NSaved=16 IEnMin= 9 EnMin= -3472.42460437818     IErMin= 8 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.18D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.454D-04 0.173D-03-0.184D-02-0.548D-02-0.915D-02 0.453D-02
 Coeff-Com:  0.189D+00 0.350D+00 0.483D+00-0.123D+01 0.129D+01 0.855D+00
 Coeff-Com: -0.926D+00-0.201D+01 0.201D+01
 Coeff:      0.454D-04 0.173D-03-0.184D-02-0.548D-02-0.915D-02 0.453D-02
 Coeff:      0.189D+00 0.350D+00 0.483D+00-0.123D+01 0.129D+01 0.855D+00
 Coeff:     -0.926D+00-0.201D+01 0.201D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=2.80D-05 DE=-7.11D-10 OVMax= 2.25D-08

 Cycle  23  Pass 1  IDiag  1:
 RMSU=  1.48D-07    CP:  1.00D+00  2.41D+00
 E= -3472.42460436948     Delta-E=        0.000000000244 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  23 NSaved=  16.
 NSaved=16 IEnMin= 8 EnMin= -3472.42460437818     IErMin= 7 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.67D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.256D-03-0.137D-02-0.510D-02-0.119D-01-0.260D-02 0.193D+00
 Coeff-Com:  0.372D+00 0.587D+00-0.206D+01 0.210D+01 0.697D+00-0.864D+00
 Coeff-Com: -0.325D+01 0.211D+01 0.115D+01
 Coeff:      0.256D-03-0.137D-02-0.510D-02-0.119D-01-0.260D-02 0.193D+00
 Coeff:      0.372D+00 0.587D+00-0.206D+01 0.210D+01 0.697D+00-0.864D+00
 Coeff:     -0.325D+01 0.211D+01 0.115D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.90D-07 MaxDP=4.14D-05 DE= 2.44D-10 OVMax= 6.82D-08

 Cycle  24  Pass 1  IDiag  1:
 RMSU=  1.55D-07    CP:  1.00D+00  3.00D+00  2.53D+00
 E= -3472.42460437061     Delta-E=       -0.000000001126 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  24 NSaved=  16.
 NSaved=16 IEnMin= 7 EnMin= -3472.42460437818     IErMin= 6 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.68D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.112D-02-0.372D-02-0.105D-01-0.151D-01 0.132D+00 0.364D+00
 Coeff-Com:  0.868D+00-0.351D+01 0.340D+01-0.317D+00 0.890D-01-0.459D+01
 Coeff-Com:  0.206D+01 0.145D+01 0.109D+01
 Coeff:     -0.112D-02-0.372D-02-0.105D-01-0.151D-01 0.132D+00 0.364D+00
 Coeff:      0.868D+00-0.351D+01 0.340D+01-0.317D+00 0.890D-01-0.459D+01
 Coeff:      0.206D+01 0.145D+01 0.109D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=5.14D-07 MaxDP=6.22D-05 DE=-1.13D-09 OVMax= 1.32D-07

 Cycle  25  Pass 1  IDiag  1:
 RMSU=  3.40D-07    CP:  1.00D+00  3.00D+00  3.00D+00  3.00D+00
 E= -3472.42460437196     Delta-E=       -0.000000001353 Rises=F Damp=F
 DIIS: error= 1.19D-06 at cycle  25 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.66D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.546D-03-0.290D-02-0.800D-02-0.660D-02 0.147D+00 0.332D+00
 Coeff-Com:  0.511D+00-0.739D+00 0.280D+00 0.675D+00-0.195D+00-0.141D+01
 Coeff-Com:  0.374D+00 0.754D+00 0.293D+00
 Coeff:     -0.546D-03-0.290D-02-0.800D-02-0.660D-02 0.147D+00 0.332D+00
 Coeff:      0.511D+00-0.739D+00 0.280D+00 0.675D+00-0.195D+00-0.141D+01
 Coeff:      0.374D+00 0.754D+00 0.293D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=5.68D-07 MaxDP=9.51D-05 DE=-1.35D-09 OVMax= 5.86D-08

 Cycle  26  Pass 1  IDiag  1:
 RMSU=  2.67D-07    CP:  1.00D+00  3.00D+00  1.59D+00  2.22D+00  6.85D-01
 E= -3472.42460437113     Delta-E=        0.000000000829 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  26 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.99D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.119D-02-0.417D-02-0.903D-02-0.705D-02 0.147D+00 0.386D+00
 Coeff-Com:  0.101D+01-0.258D+01 0.183D+01-0.244D+00 0.463D+00-0.251D+01
 Coeff-Com:  0.103D+01-0.180D+00 0.167D+01
 Coeff:     -0.119D-02-0.417D-02-0.903D-02-0.705D-02 0.147D+00 0.386D+00
 Coeff:      0.101D+01-0.258D+01 0.183D+01-0.244D+00 0.463D+00-0.251D+01
 Coeff:      0.103D+01-0.180D+00 0.167D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=8.28D-07 MaxDP=8.98D-05 DE= 8.29D-10 OVMax= 1.29D-07

 Cycle  27  Pass 1  IDiag  1:
 RMSU=  4.57D-07    CP:  1.00D+00  3.00D+00  3.00D+00  3.00D+00  1.97D+00
                    CP:  2.10D+00
 E= -3472.42460437411     Delta-E=       -0.000000002985 Rises=F Damp=F
 DIIS: error= 1.18D-06 at cycle  27 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.18D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.95D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.216D-02-0.684D-02-0.136D-01 0.204D-03 0.205D+00 0.379D+00
 Coeff-Com:  0.534D+00 0.898D-01-0.351D+00 0.899D+00-0.732D+00-0.622D-01
 Coeff-Com:  0.662D+00 0.274D+00-0.875D+00
 Coeff:     -0.216D-02-0.684D-02-0.136D-01 0.204D-03 0.205D+00 0.379D+00
 Coeff:      0.534D+00 0.898D-01-0.351D+00 0.899D+00-0.732D+00-0.622D-01
 Coeff:      0.662D+00 0.274D+00-0.875D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=1.91D-06 MaxDP=2.17D-04 DE=-2.98D-09 OVMax= 2.76D-07

 Cycle  28  Pass 1  IDiag  1:
 RMSU=  3.90D-07    CP:  1.00D+00 -3.00D+00 -2.77D-01 -1.48D+00 -4.70D-01
                    CP: -1.01D+00 -5.15D-01
 E= -3472.42460436826     Delta-E=        0.000000005859 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  28 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.36D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.218D-02-0.673D-02-0.132D-01-0.195D-03 0.199D+00 0.371D+00
 Coeff-Com:  0.509D+00 0.232D+00-0.447D+00 0.881D+00-0.720D+00 0.663D+00
 Coeff-Com:  0.212D+00-0.927D+00 0.501D-01
 Coeff:     -0.218D-02-0.673D-02-0.132D-01-0.195D-03 0.199D+00 0.371D+00
 Coeff:      0.509D+00 0.232D+00-0.447D+00 0.881D+00-0.720D+00 0.663D+00
 Coeff:      0.212D+00-0.927D+00 0.501D-01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=1.38D-07 MaxDP=1.43D-05 DE= 5.86D-09 OVMax= 1.94D-08

 Cycle  29  Pass 1  IDiag  1:
 RMSU=  3.64D-08    CP:  1.00D+00 -3.00D+00 -6.03D-01 -1.88D+00 -6.09D-01
                    CP: -1.25D+00 -6.36D-01  1.10D+00
 E= -3472.42460436770     Delta-E=        0.000000000558 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  29 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.83D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.185D-02-0.613D-02-0.129D-01-0.116D-02 0.194D+00 0.354D+00
 Coeff-Com:  0.408D+00 0.791D+00-0.948D+00 0.106D+01-0.832D+00 0.758D+00
 Coeff-Com: -0.951D+00-0.454D+00 0.642D+00
 Coeff:     -0.185D-02-0.613D-02-0.129D-01-0.116D-02 0.194D+00 0.354D+00
 Coeff:      0.408D+00 0.791D+00-0.948D+00 0.106D+01-0.832D+00 0.758D+00
 Coeff:     -0.951D+00-0.454D+00 0.642D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.77D-07 MaxDP=3.02D-05 DE= 5.58D-10 OVMax= 3.94D-08

 Cycle  30  Pass 1  IDiag  1:
 RMSU=  6.21D-08    CP:  1.00D+00 -3.00D+00 -1.37D+00 -2.65D+00 -8.69D-01
                    CP: -1.67D+00 -8.96D-01  1.26D+00  3.00D+00
 E= -3472.42460436738     Delta-E=        0.000000000317 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  30 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.45D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.216D-02-0.685D-02-0.147D-01-0.316D-02 0.204D+00 0.396D+00
 Coeff-Com:  0.589D+00-0.329D-01-0.164D+00 0.465D+00-0.428D+00 0.760D+00
 Coeff-Com: -0.839D+00-0.502D+00 0.578D+00
 Coeff:     -0.216D-02-0.685D-02-0.147D-01-0.316D-02 0.204D+00 0.396D+00
 Coeff:      0.589D+00-0.329D-01-0.164D+00 0.465D+00-0.428D+00 0.760D+00
 Coeff:     -0.839D+00-0.502D+00 0.578D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.09D-07 MaxDP=2.17D-05 DE= 3.17D-10 OVMax= 3.37D-08

 Cycle  31  Pass 1  IDiag  1:
 RMSU=  6.49D-08    CP:  1.00D+00 -3.00D+00 -6.38D-01 -1.96D+00 -7.51D-01
                    CP: -1.45D+00 -7.40D-01  1.16D+00  1.73D+00  1.67D+00
 E= -3472.42460436798     Delta-E=       -0.000000000600 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  31 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.60D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.196D-02-0.623D-02-0.133D-01-0.289D-02 0.191D+00 0.361D+00
 Coeff-Com:  0.446D+00 0.746D+00-0.873D+00 0.795D+00-0.636D+00 0.779D+00
 Coeff-Com: -0.103D+01 0.134D+00 0.109D+00
 Coeff:     -0.196D-02-0.623D-02-0.133D-01-0.289D-02 0.191D+00 0.361D+00
 Coeff:      0.446D+00 0.746D+00-0.873D+00 0.795D+00-0.636D+00 0.779D+00
 Coeff:     -0.103D+01 0.134D+00 0.109D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=3.25D-07 MaxDP=3.51D-05 DE=-6.00D-10 OVMax= 4.52D-08

 Cycle  32  Pass 1  IDiag  1:
 RMSU=  4.46D-08    CP:  1.00D+00 -3.00D+00 -1.61D+00 -2.92D+00 -1.03D+00
                    CP: -1.94D+00 -1.00D+00  1.40D+00  3.00D+00  1.01D+00
                    CP:  3.33D-01
 E= -3472.42460436812     Delta-E=       -0.000000000138 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  32 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.68D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.195D-02-0.624D-02-0.135D-01-0.311D-02 0.192D+00 0.362D+00
 Coeff-Com:  0.448D+00 0.757D+00-0.863D+00 0.781D+00-0.647D+00 0.766D+00
 Coeff-Com: -0.103D+01 0.993D-01 0.160D+00
 Coeff:     -0.195D-02-0.624D-02-0.135D-01-0.311D-02 0.192D+00 0.362D+00
 Coeff:      0.448D+00 0.757D+00-0.863D+00 0.781D+00-0.647D+00 0.766D+00
 Coeff:     -0.103D+01 0.993D-01 0.160D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=5.19D-08 MaxDP=4.89D-06 DE=-1.38D-10 OVMax= 6.18D-09

 Cycle  33  Pass 1  IDiag  1:
 RMSU=  1.54D-08    CP:  1.00D+00 -3.00D+00 -1.71D+00 -3.00D+00 -1.08D+00
                    CP: -2.01D+00 -1.06D+00  1.41D+00  3.00D+00  1.24D+00
                    CP:  4.69D-01  1.10D+00
 E= -3472.42460436728     Delta-E=        0.000000000835 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  33 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.06D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.197D-02-0.637D-02-0.140D-01-0.362D-02 0.195D+00 0.373D+00
 Coeff-Com:  0.486D+00 0.555D+00-0.669D+00 0.647D+00-0.557D+00 0.764D+00
 Coeff-Com: -0.988D+00-0.544D-01 0.275D+00
 Coeff:     -0.197D-02-0.637D-02-0.140D-01-0.362D-02 0.195D+00 0.373D+00
 Coeff:      0.486D+00 0.555D+00-0.669D+00 0.647D+00-0.557D+00 0.764D+00
 Coeff:     -0.988D+00-0.544D-01 0.275D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=7.35D-08 MaxDP=9.48D-06 DE= 8.35D-10 OVMax= 1.04D-08

 Cycle  34  Pass 1  IDiag  1:
 RMSU=  1.79D-08    CP:  1.00D+00 -3.00D+00 -1.53D+00 -2.89D+00 -1.01D+00
                    CP: -1.89D+00 -9.80D-01  1.37D+00  3.00D+00  1.30D+00
                    CP:  5.38D-01  7.65D-01  9.93D-01
 E= -3472.42460436703     Delta-E=        0.000000000255 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  34 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.28D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.199D-02-0.642D-02-0.140D-01-0.359D-02 0.195D+00 0.372D+00
 Coeff-Com:  0.479D+00 0.636D+00-0.758D+00 0.669D+00-0.562D+00 0.768D+00
 Coeff-Com: -0.101D+01 0.631D+00-0.391D+00
 Coeff:     -0.199D-02-0.642D-02-0.140D-01-0.359D-02 0.195D+00 0.372D+00
 Coeff:      0.479D+00 0.636D+00-0.758D+00 0.669D+00-0.562D+00 0.768D+00
 Coeff:     -0.101D+01 0.631D+00-0.391D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=8.60D-08 MaxDP=8.48D-06 DE= 2.55D-10 OVMax= 1.33D-08

 Cycle  35  Pass 1  IDiag  1:
 RMSU=  3.02D-08    CP:  1.00D+00 -3.00D+00 -1.71D+00 -3.00D+00 -1.09D+00
                    CP: -2.02D+00 -1.08D+00  1.43D+00  3.00D+00  1.38D+00
                    CP:  6.22D-01  8.28D-01  1.19D+00  9.23D-01
 E= -3472.42460436725     Delta-E=       -0.000000000218 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  35 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.65D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.193D-02-0.625D-02-0.135D-01-0.280D-02 0.194D+00 0.366D+00
 Coeff-Com:  0.464D+00 0.585D+00-0.732D+00 0.785D+00-0.634D+00 0.760D+00
 Coeff-Com: -0.958D+00 0.584D-02 0.188D+00
 Coeff:     -0.193D-02-0.625D-02-0.135D-01-0.280D-02 0.194D+00 0.366D+00
 Coeff:      0.464D+00 0.585D+00-0.732D+00 0.785D+00-0.634D+00 0.760D+00
 Coeff:     -0.958D+00 0.584D-02 0.188D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=1.62D-07 MaxDP=1.59D-05 DE=-2.18D-10 OVMax= 2.21D-08

 Cycle  36  Pass 1  IDiag  1:
 RMSU=  1.58D-08    CP:  1.00D+00 -3.00D+00 -1.37D+00 -2.69D+00 -9.35D-01
                    CP: -1.77D+00 -9.15D-01  1.30D+00  3.00D+00  1.12D+00
                    CP:  3.36D-01  4.95D-01  9.52D-01  1.92D-01 -4.30D-01
 E= -3472.42460436796     Delta-E=       -0.000000000713 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  36 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.68D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.196D-02-0.630D-02-0.136D-01-0.306D-02 0.194D+00 0.368D+00
 Coeff-Com:  0.471D+00 0.585D+00-0.709D+00 0.730D+00-0.610D+00 0.763D+00
 Coeff-Com: -0.984D+00 0.123D+00 0.933D-01
 Coeff:     -0.196D-02-0.630D-02-0.136D-01-0.306D-02 0.194D+00 0.368D+00
 Coeff:      0.471D+00 0.585D+00-0.709D+00 0.730D+00-0.610D+00 0.763D+00
 Coeff:     -0.984D+00 0.123D+00 0.933D-01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=5.11D-08 MaxDP=5.61D-06 DE=-7.13D-10 OVMax= 6.32D-09

 Cycle  37  Pass 1  IDiag  1:
 RMSU=  5.12D-09    CP:  1.00D+00 -3.00D+00 -1.48D+00 -2.83D+00 -9.83D-01
                    CP: -1.85D+00 -9.59D-01  1.35D+00  3.00D+00  1.21D+00
                    CP:  4.19D-01  7.04D-01  8.24D-01  5.04D-01 -1.86D-01
                    CP:  3.62D-01
 E= -3472.42460436776     Delta-E=        0.000000000204 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  37 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.85D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.195D-02-0.632D-02-0.138D-01-0.335D-02 0.195D+00 0.371D+00
 Coeff-Com:  0.479D+00 0.558D+00-0.689D+00 0.692D+00-0.576D+00 0.766D+00
 Coeff-Com: -0.978D+00 0.278D-01 0.180D+00
 Coeff:     -0.195D-02-0.632D-02-0.138D-01-0.335D-02 0.195D+00 0.371D+00
 Coeff:      0.479D+00 0.558D+00-0.689D+00 0.692D+00-0.576D+00 0.766D+00
 Coeff:     -0.978D+00 0.278D-01 0.180D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=3.31D-08 MaxDP=3.72D-06 DE= 2.04D-10 OVMax= 4.49D-09

 Cycle  38  Pass 1  IDiag  1:
 RMSU=  9.33D-09    CP:  1.00D+00 -3.00D+00 -1.43D+00 -2.73D+00 -9.47D-01
                    CP: -1.79D+00 -9.37D-01  1.33D+00  3.00D+00  1.17D+00
                    CP:  4.66D-01  5.55D-01  7.35D-01  7.52D-01 -1.76D-01
                    CP:  5.83D-02  6.85D-02
 E= -3472.42460436775     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  38 NSaved=  16.
 NSaved=16 IEnMin= 6 EnMin= -3472.42460437818     IErMin= 5 ErrMin= 2.82D-08
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-09 BMatP= 2.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.81D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.195D-02-0.632D-02-0.139D-01-0.338D-02 0.195D+00 0.371D+00
 Coeff-Com:  0.479D+00 0.558D+00-0.693D+00 0.693D+00-0.573D+00 0.766D+00
 Coeff-Com: -0.976D+00 0.213D+00-0.625D-02
 Coeff:     -0.195D-02-0.632D-02-0.139D-01-0.338D-02 0.195D+00 0.371D+00
 Coeff:      0.479D+00 0.558D+00-0.693D+00 0.693D+00-0.573D+00 0.766D+00
 Coeff:     -0.976D+00 0.213D+00-0.625D-02
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=4.46D-09 MaxDP=5.55D-07 DE= 7.28D-12 OVMax= 6.22D-10

 Density matrix is not changing but DIIS error= 1.20D-06 CofLast=-6.25D-03.
 Cycle  39  Pass 1  IDiag  1:
 E= -3472.42460436968     Delta-E=       -0.000000001932 Rises=F Damp=F
 DIIS: error= 1.21D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3472.42460436968     IErMin= 1 ErrMin= 1.21D-06
 ErrMax= 1.21D-06  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.55D-09 BMatP= 1.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.45D-05 MaxDP=2.30D-03 DE=-1.93D-09 OVMax= 2.62D-06

 Cycle  40  Pass 1  IDiag  1:
 RMSU=  2.45D-05    CP:  1.00D+00
 E= -3472.42460437097     Delta-E=       -0.000000001284 Rises=F Damp=F
 DIIS: error= 8.82D-08 at cycle  40 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3472.42460437097     IErMin= 2 ErrMin= 8.82D-08
 ErrMax= 8.82D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.16D-11 BMatP= 1.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.576D-02 0.994D+00
 Coeff:      0.576D-02 0.994D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=3.38D-06 MaxDP=3.57D-04 DE=-1.28D-09 OVMax= 4.09D-07

 Cycle  41  Pass 1  IDiag  1:
 RMSU=  3.18D-06    CP:  1.00D+00  1.00D+00
 E= -3472.42460437112     Delta-E=       -0.000000000153 Rises=F Damp=F
 DIIS: error= 3.52D-08 at cycle  41 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3472.42460437112     IErMin= 3 ErrMin= 3.52D-08
 ErrMax= 3.52D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 4.79D-12 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.931D-03 0.340D+00 0.659D+00
 Coeff:      0.931D-03 0.340D+00 0.659D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=5.51D-07 MaxDP=4.75D-05 DE=-1.53D-10 OVMax= 6.42D-07

 Cycle  42  Pass 1  IDiag  1:
 RMSU=  4.70D-07    CP:  1.00D+00  1.01D+00  9.25D-01
 E= -3472.42460436983     Delta-E=        0.000000001284 Rises=F Damp=F
 DIIS: error= 5.72D-08 at cycle  42 NSaved=   4.
 NSaved= 4 IEnMin= 3 EnMin= -3472.42460437112     IErMin= 3 ErrMin= 3.52D-08
 ErrMax= 5.72D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.13D-11 BMatP= 4.79D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.324D-03 0.968D-01 0.569D+00 0.334D+00
 Coeff:      0.324D-03 0.968D-01 0.569D+00 0.334D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.11D-07 MaxDP=2.49D-05 DE= 1.28D-09 OVMax= 4.07D-07

 Cycle  43  Pass 1  IDiag  1:
 RMSU=  1.45D-07    CP:  1.00D+00  1.01D+00  9.07D-01  1.28D+00
 E= -3472.42460436910     Delta-E=        0.000000000737 Rises=F Damp=F
 DIIS: error= 7.62D-09 at cycle  43 NSaved=   5.
 NSaved= 5 IEnMin= 3 EnMin= -3472.42460437112     IErMin= 5 ErrMin= 7.62D-09
 ErrMax= 7.62D-09  0.00D+00 EMaxC= 1.00D+00 BMatC= 3.30D-13 BMatP= 4.79D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.881D-03 0.213D-01 0.222D+00 0.172D+00 0.584D+00
 Coeff:      0.881D-03 0.213D-01 0.222D+00 0.172D+00 0.584D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.49D-07 MaxDP=3.48D-05 DE= 7.37D-10 OVMax= 6.58D-08

 Cycle  44  Pass 1  IDiag  1:
 RMSU=  4.57D-08    CP:  1.00D+00  1.01D+00  9.15D-01  1.29D+00  2.66D+00
 E= -3472.42460436952     Delta-E=       -0.000000000420 Rises=F Damp=F
 DIIS: error= 5.53D-09 at cycle  44 NSaved=   6.
 NSaved= 6 IEnMin= 3 EnMin= -3472.42460437112     IErMin= 6 ErrMin= 5.53D-09
 ErrMax= 5.53D-09  0.00D+00 EMaxC= 1.00D+00 BMatC= 2.32D-13 BMatP= 3.30D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-02 0.146D-01 0.104D+00 0.880D-01 0.409D+00 0.384D+00
 Coeff:      0.136D-02 0.146D-01 0.104D+00 0.880D-01 0.409D+00 0.384D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=1.08D-07 MaxDP=1.01D-05 DE=-4.20D-10 OVMax= 3.51D-08

 Cycle  45  Pass 1  IDiag  1:
 RMSU=  4.90D-08    CP:  1.00D+00  1.01D+00  9.18D-01  1.31D+00  3.00D+00
                    CP:  2.26D+00
 E= -3472.42460436939     Delta-E=        0.000000000131 Rises=F Damp=F
 DIIS: error= 8.23D-09 at cycle  45 NSaved=   7.
 NSaved= 7 IEnMin= 3 EnMin= -3472.42460437112     IErMin= 6 ErrMin= 5.53D-09
 ErrMax= 8.23D-09  0.00D+00 EMaxC= 1.00D+00 BMatC= 2.48D-13 BMatP= 2.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-02 0.126D-01 0.991D-01 0.879D-01 0.447D+00 0.465D+00
 Coeff-Com: -0.113D+00
 Coeff:      0.139D-02 0.126D-01 0.991D-01 0.879D-01 0.447D+00 0.465D+00
 Coeff:     -0.113D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.66D-08 MaxDP=3.04D-06 DE= 1.31D-10 OVMax= 3.93D-09

 Cycle  46  Pass 1  IDiag  1:
 RMSU=  1.44D-08    CP:  1.00D+00  1.01D+00  9.17D-01  1.31D+00  3.00D+00
                    CP:  2.04D+00  6.33D-01
 E= -3472.42460436925     Delta-E=        0.000000000133 Rises=F Damp=F
 DIIS: error= 8.16D-09 at cycle  46 NSaved=   8.
 NSaved= 8 IEnMin= 3 EnMin= -3472.42460437112     IErMin= 6 ErrMin= 5.53D-09
 ErrMax= 8.16D-09  0.00D+00 EMaxC= 1.00D+00 BMatC= 2.47D-13 BMatP= 2.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-02 0.995D-02 0.903D-01 0.821D-01 0.432D+00 0.502D+00
 Coeff-Com: -0.473D+00 0.356D+00
 Coeff:      0.146D-02 0.995D-02 0.903D-01 0.821D-01 0.432D+00 0.502D+00
 Coeff:     -0.473D+00 0.356D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=3.78D-08 MaxDP=3.39D-06 DE= 1.33D-10 OVMax= 5.08D-09

 Cycle  47  Pass 1  IDiag  1:
 RMSU=  3.01D-08    CP:  1.00D+00  1.01D+00  9.15D-01  1.32D+00  3.00D+00
                    CP:  2.13D+00  2.79D-01  1.71D+00
 E= -3472.42460437003     Delta-E=       -0.000000000780 Rises=F Damp=F
 DIIS: error= 7.70D-09 at cycle  47 NSaved=   9.
 NSaved= 9 IEnMin= 3 EnMin= -3472.42460437112     IErMin= 6 ErrMin= 5.53D-09
 ErrMax= 7.70D-09  0.00D+00 EMaxC= 1.00D+00 BMatC= 2.15D-13 BMatP= 2.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.141D-02 0.100D-01 0.918D-01 0.815D-01 0.409D+00 0.461D+00
 Coeff-Com: -0.472D+00 0.261D+00 0.157D+00
 Coeff:      0.141D-02 0.100D-01 0.918D-01 0.815D-01 0.409D+00 0.461D+00
 Coeff:     -0.472D+00 0.261D+00 0.157D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=1.80D-08 MaxDP=1.91D-06 DE=-7.80D-10 OVMax= 2.45D-09

 Cycle  48  Pass 1  IDiag  1:
 RMSU=  1.46D-08    CP:  1.00D+00  1.01D+00  9.15D-01  1.32D+00  3.00D+00
                    CP:  2.13D+00  3.15D-01  2.08D+00  1.28D+00
 E= -3472.42460436936     Delta-E=        0.000000000673 Rises=F Damp=F
 DIIS: error= 1.01D-08 at cycle  48 NSaved=  10.
 NSaved=10 IEnMin= 3 EnMin= -3472.42460437112     IErMin= 6 ErrMin= 5.53D-09
 ErrMax= 1.01D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 2.63D-13 BMatP= 2.15D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.144D-02 0.103D-01 0.900D-01 0.801D-01 0.405D+00 0.480D+00
 Coeff-Com: -0.683D+00 0.503D+00 0.424D+00-0.311D+00
 Coeff:      0.144D-02 0.103D-01 0.900D-01 0.801D-01 0.405D+00 0.480D+00
 Coeff:     -0.683D+00 0.503D+00 0.424D+00-0.311D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.00D-08 MaxDP=2.80D-06 DE= 6.73D-10 OVMax= 3.01D-09

 Cycle  49  Pass 1  IDiag  1:
 RMSU=  1.80D-08    CP:  1.00D+00  1.01D+00  9.15D-01  1.32D+00  3.00D+00
                    CP:  2.12D+00  2.61D-01  2.42D+00  1.17D+00  6.92D-01
 E= -3472.42460437040     Delta-E=       -0.000000001037 Rises=F Damp=F
 DIIS: error= 1.21D-08 at cycle  49 NSaved=  11.
 NSaved=11 IEnMin= 3 EnMin= -3472.42460437112     IErMin= 6 ErrMin= 5.53D-09
 ErrMax= 1.21D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 2.96D-13 BMatP= 2.15D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.144D-02 0.103D-01 0.900D-01 0.801D-01 0.405D+00 0.481D+00
 Coeff-Com: -0.685D+00 0.506D+00 0.422D+00-0.307D+00-0.394D-02
 Coeff:      0.144D-02 0.103D-01 0.900D-01 0.801D-01 0.405D+00 0.481D+00
 Coeff:     -0.685D+00 0.506D+00 0.422D+00-0.307D+00-0.394D-02
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.119 Goal=   None    Shift=    0.000
 RMSDP=2.76D-10 MaxDP=3.65D-08 DE=-1.04D-09 OVMax= 3.20D-11

 SCF Done:  E(UB3LYP) =  -3472.42460437     A.U. after   49 cycles
            NFock= 49  Conv=0.28D-09     -V/T= 2.0035
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7525 S= 0.5013
 <L.S>= 0.000000000000E+00
 KE= 3.460158254484D+03 PE=-1.807447542711D+04 EE= 6.214567019097D+03
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7525,   after     0.7500
 Leave Link  502 at Thu Aug 26 16:35:48 2021, MaxMem= 16106127360 cpu:          200334.1 elap:           25250.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1  1089
 NBasis=  1093 NAE=   144 NBE=   143 NFC=     0 NFV=     0
 NROrb=   1089 NOA=   144 NOB=   143 NVA=   945 NVB=   946

 **** Warning!!: The largest alpha MO coefficient is  0.86855716D+02


 **** Warning!!: The largest beta MO coefficient is  0.88123865D+02

 Leave Link  801 at Thu Aug 26 16:35:49 2021, MaxMem= 16106127360 cpu:               3.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  UHF open shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        19888 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=      72.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          63
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.52D-12 8.33D-09 XBig12= 1.00D+00 5.56D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.52D-12 8.33D-09 XBig12= 7.47D-01 3.48D-01.
     11 vectors produced by pass  2 Test12= 4.52D-12 8.33D-09 XBig12= 3.37D-01 2.81D-01.
     11 vectors produced by pass  3 Test12= 4.52D-12 8.33D-09 XBig12= 2.62D-01 2.34D-01.
     11 vectors produced by pass  4 Test12= 4.52D-12 8.33D-09 XBig12= 1.57D-01 1.55D-01.
     11 vectors produced by pass  5 Test12= 4.52D-12 8.33D-09 XBig12= 3.03D-02 8.13D-02.
     11 vectors produced by pass  6 Test12= 4.52D-12 8.33D-09 XBig12= 7.69D-03 2.10D-02.
     11 vectors produced by pass  7 Test12= 4.52D-12 8.33D-09 XBig12= 2.01D-03 1.74D-02.
     11 vectors produced by pass  8 Test12= 4.52D-12 8.33D-09 XBig12= 6.33D-04 7.13D-03.
     11 vectors produced by pass  9 Test12= 4.52D-12 8.33D-09 XBig12= 6.60D-05 1.44D-03.
     11 vectors produced by pass 10 Test12= 4.52D-12 8.33D-09 XBig12= 9.36D-06 4.23D-04.
     11 vectors produced by pass 11 Test12= 4.52D-12 8.33D-09 XBig12= 6.33D-07 8.88D-05.
     11 vectors produced by pass 12 Test12= 4.52D-12 8.33D-09 XBig12= 4.01D-08 2.48D-05.
     11 vectors produced by pass 13 Test12= 4.52D-12 8.33D-09 XBig12= 3.04D-09 9.63D-06.
     10 vectors produced by pass 14 Test12= 4.52D-12 8.33D-09 XBig12= 1.84D-10 2.24D-06.
      9 vectors produced by pass 15 Test12= 4.52D-12 8.33D-09 XBig12= 1.03D-11 4.24D-07.
      6 vectors produced by pass 16 Test12= 4.52D-12 8.33D-09 XBig12= 9.20D-13 8.15D-08.
      4 vectors produced by pass 17 Test12= 4.52D-12 8.33D-09 XBig12= 6.47D-13 4.27D-08.
      3 vectors produced by pass 18 Test12= 4.52D-12 8.33D-09 XBig12= 1.19D-13 1.54D-08.
      2 vectors produced by pass 19 Test12= 4.52D-12 8.33D-09 XBig12= 1.04D-13 1.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.62D-12
 Solved reduced A of dimension   188 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.515101D+03
      2  0.378418D+02  0.347109D+03
      3 -0.876861D-01 -0.457977D-02  0.258405D+03
 Isotropic polarizability for W=    0.085645      373.54 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.396882D+00  0.449569D-01 -0.652715D+01
      2  -0.346642D+00  0.359597D-02 -0.108271D+03
      3  -0.502393D-01 -0.485529D-01  0.114798D+03
      4  -0.121584D+01 -0.105277D+00  0.102747D+03
      5   0.158762D+03  0.920968D+02  0.415102D-01
      6   0.544104D+02  0.481681D+02 -0.155465D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.688604D+02  0.234309D+02  0.989673D-01
      2  -0.314414D+03  0.946150D+01 -0.240114D+00
      3  -0.510875D+02 -0.166656D+01  0.607214D+03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.106498D+02  0.156439D+03  0.106913D+00
      2  -0.165290D+03  0.483361D+02  0.917494D-01
      3  -0.126080D+01 -0.241365D+00 -0.376864D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.305676D+03  0.716395D+02  0.126029D+02
      2   0.716395D+02  0.350121D+03  0.457965D+00
      3   0.126029D+02  0.457965D+00  0.297393D+02
 OR G Eigenvalues:    29.1389   253.3266   403.0708  Iso=  -228.5121
 Eigenvectors:
   (1)  -0.047921   0.009270   0.998808
   (2)   0.802917  -0.594461   0.044040
   (3)   0.594161   0.804071   0.021044
 w=    0.085645 a.u., Optical Rotation Beta=   -228.5121 au.
 Molar Mass =    558.0192 grams/mole, [Alpha] ( 5320.0 A) =   -19421.58 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 1 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  597871 ScalPx= 1.34D+03
 PxSclF for G(T1ab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  597871 IRwP= 19994 19993 IPTmp= 19962 19961 ScalPx= 4.38D+05
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.54D-13 2.78D-09 XBig12= 1.00D+00 5.38D-01.
     30 vectors produced by pass  1 Test12= 7.54D-13 2.78D-09 XBig12= 1.00D+00 4.20D-01.
     30 vectors produced by pass  2 Test12= 7.54D-13 2.78D-09 XBig12= 3.66D-02 5.40D-02.
     30 vectors produced by pass  3 Test12= 7.54D-13 2.78D-09 XBig12= 4.68D-03 9.37D-03.
     30 vectors produced by pass  4 Test12= 7.54D-13 2.78D-09 XBig12= 6.30D-04 2.69D-03.
     30 vectors produced by pass  5 Test12= 7.54D-13 2.78D-09 XBig12= 5.39D-05 6.21D-04.
     30 vectors produced by pass  6 Test12= 7.54D-13 2.78D-09 XBig12= 2.21D-06 1.53D-04.
     30 vectors produced by pass  7 Test12= 7.54D-13 2.78D-09 XBig12= 9.85D-08 2.02D-05.
     30 vectors produced by pass  8 Test12= 7.54D-13 2.78D-09 XBig12= 3.59D-09 3.93D-06.
     30 vectors produced by pass  9 Test12= 7.54D-13 2.78D-09 XBig12= 1.11D-10 6.59D-07.
     30 vectors produced by pass 10 Test12= 7.54D-13 2.78D-09 XBig12= 2.95D-12 1.23D-07.
     15 vectors produced by pass 11 Test12= 7.54D-13 2.78D-09 XBig12= 1.93D-13 2.02D-08.
      5 vectors produced by pass 12 Test12= 7.54D-13 2.78D-09 XBig12= 6.99D-14 9.36D-09.
      5 vectors produced by pass 13 Test12= 7.54D-13 2.78D-09 XBig12= 1.14D-13 1.35D-08.
      4 vectors produced by pass 14 Test12= 7.54D-13 2.78D-09 XBig12= 2.72D-14 7.31D-09.
      4 vectors produced by pass 15 Test12= 7.54D-13 2.78D-09 XBig12= 5.00D-14 1.04D-08.
      4 vectors produced by pass 16 Test12= 7.54D-13 2.78D-09 XBig12= 3.96D-14 7.55D-09.
      3 vectors produced by pass 17 Test12= 7.54D-13 2.78D-09 XBig12= 3.81D-14 7.60D-09.
      1 vectors produced by pass 18 Test12= 7.54D-13 2.78D-09 XBig12= 1.01D-14 3.46D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   371 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  597871 ScalPx= 4.69D+05
 PxScal for FxTab-XC:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  597871 ScalPx= 4.69D+05
 PxSclF for G(Xab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  597871 IRwP= 19964 19963 IPTmp= 19956 19955 ScalPx= 1.32D+05
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.515101D+03  0.378418D+02 -0.876861D-01
      2   0.378418D+02  0.347109D+03 -0.457977D-02
      3  -0.876861D-01 -0.457977D-02  0.258405D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.688604D+02  0.234309D+02  0.989673D-01
      2  -0.314414D+03  0.946150D+01 -0.240114D+00
      3  -0.510875D+02 -0.166656D+01  0.607214D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.396882D+00  0.449569D-01 -0.652715D+01
      2  -0.346642D+00  0.359597D-02 -0.108271D+03
      3  -0.502393D-01 -0.485529D-01  0.114798D+03
      4  -0.121584D+01 -0.105277D+00  0.102747D+03
      5   0.158762D+03  0.920968D+02  0.415102D-01
      6   0.544104D+02  0.481681D+02 -0.155465D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.102561D+02 -0.849246D+00  0.313878D+01  0.946987D+00  0.216104D+01
      2  -0.849246D+00  0.914803D+00  0.883583D+00  0.216104D+01 -0.935650D+00
      3   0.313878D+01  0.883583D+00  0.198853D+01 -0.130684D+01  0.292334D+00
                 6             7             8             9            10 
      1  -0.130684D+01 -0.477619D+01 -0.105703D+01  0.474295D+01 -0.143784D+02
      2   0.292334D+00 -0.105703D+01 -0.109420D+01  0.384648D+01 -0.415093D+00
      3   0.405056D+01  0.474295D+01  0.384648D+01  0.606981D+00  0.119356D+01
                11            12            13            14            15 
      1  -0.415093D+00  0.119356D+01  0.721709D+01 -0.436029D+01 -0.259803D+01
      2  -0.389214D+01  0.816776D+00 -0.436029D+01 -0.646316D+00 -0.212677D+01
      3   0.816776D+00 -0.484369D+01 -0.259803D+01 -0.212677D+01 -0.906999D+01
                16            17            18            19            20 
      1   0.279599D+01  0.116036D+01 -0.949142D+01  0.629013D+02  0.848930D+01
      2   0.116036D+01 -0.368982D+00 -0.336203D+01  0.848930D+01  0.113885D+02
      3  -0.949142D+01 -0.336203D+01 -0.333951D+01 -0.601786D+01  0.113334D+01
                21            22            23            24            25 
      1  -0.601786D+01  0.191249D+01  0.104127D+02  0.269223D+02  0.353788D+02
      2   0.113334D+01  0.104127D+02  0.114274D+02  0.235973D+01  0.318653D+01
      3   0.159278D+01  0.269223D+02  0.235973D+01 -0.273503D+02  0.742699D+00
                26            27            28            29            30 
      1   0.318653D+01  0.742699D+00 -0.117842D+03 -0.496151D+01 -0.141358D+02
      2   0.164705D+01  0.294398D+01 -0.496151D+01  0.507428D+01 -0.289944D+01
      3   0.294398D+01  0.178316D+01 -0.141358D+02 -0.289944D+01 -0.507764D+00
                31            32            33            34            35 
      1   0.385867D+02 -0.280795D+01 -0.765703D+02  0.276065D+02 -0.616327D+00
      2  -0.280795D+01  0.538292D+01 -0.599568D+01 -0.616327D+00  0.958794D+00
      3  -0.765703D+02 -0.599568D+01  0.128455D+03 -0.171409D+02  0.161923D+01
                36            37            38            39            40 
      1  -0.171409D+02  0.439911D+02  0.792170D+01  0.323732D+01  0.523223D+02
      2   0.161923D+01  0.792170D+01  0.821294D+00  0.325898D+01  0.111456D+02
      3   0.331436D+02  0.323732D+01  0.325898D+01  0.718006D+01  0.141186D+02
                41            42            43            44            45 
      1   0.111456D+02  0.141186D+02 -0.493362D+02  0.209173D+01  0.232581D+01
      2   0.383741D+00  0.861711D-01  0.209173D+01 -0.349339D+00 -0.180607D+01
      3   0.861711D-01 -0.150354D+02  0.232581D+01 -0.180607D+01  0.995279D+01
                46            47            48            49            50 
      1   0.635293D+01 -0.407602D+01 -0.213117D+01 -0.262389D+01 -0.646290D+01
      2  -0.407602D+01 -0.416773D+01 -0.735161D+00 -0.646290D+01 -0.354066D+00
      3  -0.213117D+01 -0.735161D+00  0.527601D+01 -0.222404D+01  0.209138D+01
                51            52            53            54            55 
      1  -0.222404D+01 -0.161432D+01 -0.346938D+01  0.484691D+01 -0.466635D+01
      2   0.209138D+01 -0.346938D+01 -0.591264D+00 -0.397640D+00 -0.667129D+01
      3   0.118250D+01  0.484691D+01 -0.397640D+00  0.369375D+01  0.419254D+01
                56            57            58            59            60 
      1  -0.667129D+01  0.419254D+01 -0.392027D+02 -0.345967D+01 -0.184638D+01
      2  -0.134243D+00 -0.148111D+01 -0.345967D+01  0.100195D+01  0.310574D+01
      3  -0.148111D+01  0.772102D+01 -0.184638D+01  0.310574D+01  0.160376D+02
                61            62            63            64            65 
      1   0.137402D+02 -0.749833D-01  0.949948D+01  0.323983D+03  0.244614D+02
      2  -0.749833D-01  0.400273D+01  0.317468D+01  0.244614D+02 -0.430795D+01
      3   0.949948D+01  0.317468D+01 -0.663959D+01 -0.950444D+02 -0.504284D+01
                66            67            68            69            70 
      1  -0.950444D+02  0.139640D+03  0.180976D+02  0.462641D+02  0.146529D+03
      2  -0.504284D+01  0.180976D+02  0.709399D+01  0.624913D+01  0.115206D+02
      3   0.394457D+03  0.462641D+02  0.624913D+01  0.282814D+03 -0.294387D+01
                71            72            73            74            75 
      1   0.115206D+02 -0.294387D+01 -0.887957D+01 -0.161607D+01  0.536634D+02
      2   0.827135D+00  0.205719D+01 -0.161607D+01 -0.867757D-01  0.174613D+02
      3   0.205719D+01  0.415539D+02  0.536634D+02  0.174613D+02  0.503535D+00
                76            77            78            79            80 
      1   0.126037D+02  0.119019D+00 -0.876130D+02 -0.232428D+03 -0.159662D+02
      2   0.119019D+00 -0.163931D-01  0.104717D+01 -0.159662D+02 -0.563153D+00
      3  -0.876130D+02  0.104717D+01  0.955433D+00 -0.981023D+01 -0.403714D+00
                81            82            83            84            85 
      1  -0.981023D+01  0.249019D+03  0.525918D+01  0.231124D+02 -0.152648D+03
      2  -0.403714D+00  0.525918D+01 -0.245327D+01 -0.308712D+01 -0.465722D+01
      3   0.124245D+03  0.231124D+02 -0.308712D+01  0.300189D+03  0.572047D+02
                86            87            88            89            90 
      1  -0.465722D+01  0.572047D+02 -0.210116D+02 -0.245352D+01  0.223025D+02
      2  -0.387355D+01 -0.691162D+01 -0.245352D+01 -0.367300D+00  0.526501D-01
      3  -0.691162D+01 -0.290501D+03  0.223025D+02  0.526501D-01 -0.145525D+03
                91            92            93            94            95 
      1  -0.123871D+03 -0.290323D+01 -0.121581D+01 -0.691214D+02 -0.248929D+02
      2  -0.290323D+01 -0.363320D+01 -0.323960D+01 -0.248929D+02 -0.235487D+02
      3  -0.121581D+01 -0.323960D+01 -0.812126D+01 -0.186597D+02  0.300153D+01
                96            97            98            99           100 
      1  -0.186597D+02 -0.268032D+02 -0.409162D+01 -0.462466D+01  0.184024D+02
      2   0.300153D+01 -0.409162D+01 -0.289787D+01 -0.406112D+01 -0.591785D+01
      3  -0.103491D+03 -0.462466D+01 -0.406112D+01  0.103997D+02  0.245043D+01
               101           102           103           104           105 
      1  -0.591785D+01  0.245043D+01 -0.702529D+01  0.145321D+02  0.800137D+01
      2  -0.423686D+01 -0.854874D-01  0.145321D+02  0.417636D+01 -0.143405D+01
      3  -0.854874D-01  0.172229D+02  0.800137D+01 -0.143405D+01  0.535118D+01
               106           107           108           109           110 
      1  -0.214534D+01  0.269977D+01 -0.364694D+01  0.725591D+01  0.157120D+01
      2   0.269977D+01 -0.112864D+01  0.586258D-02  0.157120D+01  0.447378D+01
      3  -0.364694D+01  0.586258D-02 -0.139185D+01  0.778874D-01 -0.612461D+00
               111           112           113           114           115 
      1   0.778874D-01 -0.752835D+01 -0.120418D+01  0.616660D+00  0.743777D+01
      2  -0.612461D+00 -0.120418D+01 -0.483531D+01  0.178215D+01  0.116368D+01
      3   0.100461D+02  0.616660D+00  0.178215D+01 -0.124485D+02  0.492946D+00
               116           117           118           119           120 
      1   0.116368D+01  0.492946D+00 -0.115100D+02 -0.606565D+01  0.135063D+01
      2   0.474262D+01 -0.199087D+01 -0.606565D+01 -0.169047D+01 -0.152584D+01
      3  -0.199087D+01  0.153841D+02  0.135063D+01 -0.152584D+01  0.627630D+01
               121           122           123           124           125 
      1  -0.670058D+01 -0.229873D+01 -0.222146D+01  0.235498D-01 -0.180457D+01
      2  -0.229873D+01 -0.669239D-01  0.162840D+01 -0.180457D+01  0.190160D+01
      3  -0.222146D+01  0.162840D+01 -0.466552D+01  0.344735D+01 -0.937427D+00
               126           127           128           129           130 
      1   0.344735D+01  0.106222D+01  0.509149D+01 -0.230796D+01  0.206435D+02
      2  -0.937427D+00  0.509149D+01 -0.677882D-01  0.141308D+01 -0.283399D+00
      3  -0.811365D+01 -0.230796D+01  0.141308D+01 -0.143196D+01  0.272959D+01
               131           132           133           134           135 
      1  -0.283399D+00  0.272959D+01 -0.524268D+01  0.236730D+00 -0.341349D+01
      2  -0.190418D+01 -0.277157D+01  0.236730D+00 -0.329967D+01 -0.299276D+01
      3  -0.277157D+01 -0.822166D+01 -0.341349D+01 -0.299276D+01  0.363853D+01
               136           137           138           139           140 
      1   0.150394D+01  0.409501D+01 -0.152138D+01  0.446885D+01 -0.185362D+01
      2   0.409501D+01 -0.556803D+00  0.195174D+01 -0.185362D+01 -0.112894D+01
      3  -0.152138D+01  0.195174D+01  0.908116D+00  0.149702D+01 -0.417996D+01
               141           142           143           144           145 
      1   0.149702D+01 -0.188921D+00  0.153066D+01 -0.286675D+01 -0.303296D+03
      2  -0.417996D+01  0.153066D+01 -0.289072D+01 -0.222888D+01 -0.235848D+02
      3  -0.112197D+01 -0.286675D+01 -0.222888D+01  0.378510D+00 -0.321199D+02
               146           147           148           149           150 
      1  -0.235848D+02 -0.321199D+02 -0.160438D+03 -0.194366D+02  0.913678D+02
      2   0.435035D+01 -0.286419D+01 -0.194366D+02 -0.715042D+01  0.776058D+01
      3  -0.286419D+01 -0.394729D+03  0.913678D+02  0.776058D+01 -0.283197D+03
               151           152           153           154           155 
      1   0.147146D+03  0.116778D+02 -0.381018D+01  0.122046D+03  0.546588D+01
      2   0.116778D+02  0.852041D+00 -0.220658D+01  0.546588D+01 -0.505891D+01
      3  -0.381018D+01 -0.220658D+01  0.422678D+02 -0.139443D+02 -0.296967D+01
               156           157           158           159           160 
      1  -0.139443D+02 -0.182573D+02  0.413848D+01 -0.563597D+02  0.223371D+02
      2  -0.296967D+01  0.413848D+01 -0.532282D+01 -0.524760D+01 -0.911905D+00
      3   0.818633D+00 -0.563597D+02 -0.524760D+01 -0.128542D+03  0.121896D+02
               161           162           163           164           165 
      1  -0.911905D+00  0.121896D+02 -0.454700D+02 -0.812876D+01  0.503903D+01
      2   0.957607D+00 -0.181866D+01 -0.812876D+01 -0.833054D+00  0.332702D+01
      3  -0.181866D+01  0.332290D+02  0.503903D+01  0.332702D+01 -0.723916D+01
               166           167           168           169           170 
      1  -0.551999D+02 -0.114910D+02  0.113916D+02 -0.469086D+02  0.213553D+01
      2  -0.114910D+02 -0.401426D+00 -0.217196D-02  0.213553D+01 -0.348555D+00
      3   0.113916D+02 -0.217196D-02  0.150943D+02 -0.353843D+01  0.176736D+01
               171           172           173           174           175 
      1  -0.353843D+01  0.393685D+01  0.660753D+01  0.468703D+01  0.385848D+02
      2   0.176736D+01  0.660753D+01  0.141610D+00 -0.145582D+01  0.343232D+01
      3   0.990389D+01  0.468703D+01 -0.145582D+01 -0.762270D+01  0.179296D+00
               176           177           178           179           180 
      1   0.343232D+01  0.179296D+00  0.146359D+02 -0.138107D-01 -0.862794D+01
      2  -0.100873D+01  0.318045D+01 -0.138107D-01  0.400927D+01 -0.315116D+01
      3   0.318045D+01 -0.160591D+02 -0.862794D+01 -0.315116D+01 -0.672173D+01
               181           182           183           184           185 
      1   0.139464D+02  0.422530D+00  0.802007D+00 -0.589534D+01  0.436891D+01
      2   0.422530D+00  0.389385D+01  0.789750D+00  0.436891D+01  0.651672D+00
      3   0.802007D+00  0.789750D+00  0.487049D+01 -0.318282D+01 -0.214508D+01
               186           187           188           189           190 
      1  -0.318282D+01  0.139594D+01  0.107320D+01  0.100195D+02 -0.611306D+02
      2  -0.214508D+01  0.107320D+01 -0.364021D+00  0.338498D+01 -0.845381D+01
      3   0.905220D+01  0.100195D+02  0.338498D+01 -0.331688D+01 -0.606403D+01
               191           192           193           194           195 
      1  -0.845381D+01 -0.606403D+01 -0.958128D+01 -0.106563D+02  0.224500D+02
      2  -0.113969D+02  0.117606D+01 -0.106563D+02 -0.114450D+02  0.220647D+01
      3   0.117606D+01 -0.159901D+01  0.224500D+02  0.220647D+01  0.276331D+02
               196           197           198           199           200 
      1   0.344668D+02  0.335161D+01 -0.860872D+00  0.100212D+02  0.813886D+00
      2   0.335161D+01  0.164840D+01 -0.296661D+01  0.813886D+00 -0.903429D+00
      3  -0.860872D+00 -0.296661D+01  0.186805D+01  0.314421D+01  0.887439D+00
               201           202           203           204           205 
      1   0.314421D+01 -0.688963D+00 -0.211860D+01 -0.125524D+01 -0.407496D+01
      2   0.887439D+00 -0.211860D+01  0.930324D+00  0.286325D+00 -0.992275D+00
      3  -0.202231D+01 -0.125524D+01  0.286325D+00 -0.406352D+01 -0.479764D+01
               206           207           208           209           210 
      1  -0.992275D+00 -0.479764D+01 -0.513000D+01  0.418696D+01 -0.181484D+01
      2  -0.109751D+01 -0.384431D+01  0.418696D+01  0.417527D+01 -0.723419D+00
      3  -0.384431D+01  0.569886D+00 -0.181484D+01 -0.723419D+00 -0.531988D+01
               211           212           213           214           215 
      1   0.357199D+01  0.658109D+01 -0.192175D+01 -0.145259D+01 -0.347606D+01
      2   0.658109D+01  0.372732D+00  0.210671D+01 -0.347606D+01 -0.585437D+00
      3  -0.192175D+01  0.210671D+01 -0.118552D+01 -0.570716D+01  0.363735D+00
               216           217           218           219           220 
      1  -0.570716D+01 -0.152689D+01 -0.409983D+01 -0.974564D+00 -0.446878D+01
      2   0.363735D+00 -0.409983D+01  0.563456D+00  0.196003D+01  0.186423D+01
      3   0.365268D+01 -0.974564D+00  0.196003D+01 -0.905119D+00  0.168172D+01
               221           222           223           224           225 
      1   0.186423D+01  0.168172D+01 -0.229099D+00  0.151501D+01  0.300480D+01
      2   0.112094D+01 -0.417608D+01  0.151501D+01 -0.288092D+01  0.224539D+01
      3  -0.417608D+01  0.113055D+01  0.300480D+01  0.224539D+01  0.373768D+00
               226           227           228           229           230 
      1  -0.631019D+00 -0.504126D+01 -0.217157D+01 -0.205857D+02  0.259860D+00
      2  -0.504126D+01  0.676887D-01  0.140992D+01  0.259860D+00  0.189978D+01
      3  -0.217157D+01  0.140992D+01  0.139702D+01  0.182419D+01 -0.280076D+01
               231           232           233           234           235 
      1   0.182419D+01 -0.505031D+01  0.253026D+00  0.306200D+01  0.111474D+02
      2  -0.280076D+01  0.253026D+00 -0.329316D+01  0.299652D+01  0.603893D+01
      3   0.821836D+01  0.306200D+01  0.299652D+01  0.359689D+01  0.183620D+01
               236           237           238           239           240 
      1   0.603893D+01  0.183620D+01  0.701732D+01  0.234511D+01 -0.290000D+01
      2   0.168179D+01 -0.150536D+01  0.234511D+01  0.866460D-01  0.160203D+01
      3  -0.150536D+01 -0.620737D+01 -0.290000D+01  0.160203D+01  0.460110D+01
               241           242           243           244           245 
      1   0.120300D+00 -0.181148D+01 -0.273699D+01  0.125021D+03  0.343260D+01
      2  -0.181148D+01  0.189160D+01  0.951021D+00  0.343260D+01  0.367022D+01
      3  -0.273699D+01  0.951021D+00 -0.813930D+01 -0.226837D+01 -0.335745D+01
               246           247           248           249           250 
      1  -0.226837D+01  0.767695D+02  0.241080D+02 -0.347159D+02 -0.276056D+02
      2  -0.335745D+01  0.241080D+02  0.235186D+02  0.237452D+01 -0.397213D+01
      3   0.757978D+01 -0.347159D+02  0.237452D+01  0.103595D+03  0.284299D+01
               251           252           253           254           255 
      1  -0.397213D+01  0.284299D+01 -0.198216D+02  0.582918D+01  0.540659D+01
      2  -0.288706D+01  0.396717D+01  0.582918D+01  0.423714D+01  0.415605D-02
      3   0.396717D+01  0.104706D+02  0.540659D+01  0.415605D-02 -0.172414D+02
               256           257           258           259           260 
      1   0.517174D+01 -0.142168D+02  0.900833D+01 -0.303162D+01  0.247065D+01
      2  -0.142168D+02 -0.416100D+01 -0.138237D+01  0.247065D+01 -0.114446D+01
      3   0.900833D+01 -0.138237D+01 -0.540381D+01  0.377730D+01  0.418449D-02
               261           262           263           264           265 
      1   0.377730D+01 -0.691521D+01 -0.146304D+01  0.154219D+01  0.735206D+01
      2   0.418449D-02 -0.146304D+01 -0.446960D+01 -0.560983D+00  0.108871D+01
      3  -0.146086D+01  0.154219D+01 -0.560983D+00 -0.100261D+02 -0.131715D+01
               266           267           268           269           270 
      1   0.108871D+01 -0.131715D+01  0.720840D+01  0.110021D+01 -0.236995D+01
      2   0.482871D+01  0.171856D+01  0.110021D+01  0.473620D+01  0.192553D+01
      3   0.171856D+01  0.124290D+02 -0.236995D+01  0.192553D+01  0.153604D+02
               271           272           273           274           275 
      1  -0.264614D+03 -0.531989D+01  0.711253D+02  0.142574D+03  0.567587D+01
      2  -0.531989D+01  0.245986D+01 -0.140120D+01  0.567587D+01  0.395960D+01
      3   0.711253D+02 -0.140120D+01 -0.300284D+03  0.107763D+02 -0.841557D+01
               276           277           278           279           280 
      1   0.107763D+02 -0.171909D+02 -0.227410D+01  0.590269D+00 -0.113729D+02
      2  -0.841557D+01 -0.227410D+01 -0.354161D+00  0.789941D+00 -0.212961D+01
      3   0.289721D+03  0.590269D+00  0.789941D+00 -0.145189D+03  0.362779D+00
               281           282           283           284           285 
      1  -0.212961D+01  0.362779D+00  0.526386D+01 -0.428596D-01 -0.298178D+01
      2  -0.483822D+01  0.128632D+01 -0.428596D-01  0.185853D+01 -0.129474D+01
      3   0.128632D+01 -0.158178D+02 -0.298178D+01 -0.129474D+01  0.897550D+01
               286           287           288           289           290 
      1  -0.868984D+01 -0.134779D+01 -0.589921D+00 -0.520532D+00  0.179399D+01
      2  -0.134779D+01 -0.283152D+01  0.164989D+01  0.179399D+01  0.195606D+01
      3  -0.589921D+00  0.164989D+01 -0.166861D+02 -0.265123D+01 -0.154935D+00
               291           292           293           294           295 
      1  -0.265123D+01 -0.163636D+01  0.240485D+01 -0.278219D+01  0.964886D+00
      2  -0.154935D+00  0.240485D+01  0.624874D+01 -0.937945D+00 -0.349433D+00
      3   0.547224D+00 -0.278219D+01 -0.937945D+00  0.233227D+01  0.127079D+01
               296           297           298           299           300 
      1  -0.349433D+00  0.127079D+01  0.116702D+01 -0.182474D+01 -0.267263D+01
      2  -0.698793D+00  0.146791D+01 -0.182474D+01 -0.195854D+01 -0.157273D+00
      3   0.146791D+01 -0.918519D+00 -0.267263D+01 -0.157273D+00 -0.517735D+00
               301           302           303           304           305 
      1   0.231335D+01 -0.242064D+01 -0.248974D+01  0.115300D+01 -0.357021D+00
      2  -0.242064D+01 -0.624570D+01 -0.928743D+00 -0.357021D+00 -0.698353D+00
      3  -0.248974D+01 -0.928743D+00 -0.233165D+01 -0.126354D+01 -0.146710D+01
               306           307           308           309           310 
      1  -0.126354D+01  0.110619D+02  0.212422D+01 -0.190836D+01 -0.450330D+01
      2  -0.146710D+01  0.212422D+01  0.483098D+01  0.120246D+01  0.623822D-01
      3  -0.920535D+00 -0.190836D+01  0.120246D+01  0.157793D+02 -0.156206D+01
               311           312           313           314           315 
      1   0.623822D-01 -0.156206D+01 -0.848389D+01 -0.133056D+01  0.266742D+01
      2  -0.186498D+01 -0.124961D+01 -0.133056D+01 -0.282942D+01 -0.157721D+01
      3  -0.124961D+01 -0.894599D+01  0.266742D+01 -0.157721D+01 -0.166649D+02
               316           317           318           319           320 
      1  -0.745182D+01 -0.412057D+01 -0.178228D+01 -0.540519D+01 -0.567210D+01
      2  -0.412057D+01 -0.453572D+01 -0.109282D+01 -0.567210D+01 -0.669926D+01
      3  -0.178228D+01 -0.109282D+01 -0.130075D+01 -0.112818D+01 -0.198229D+01
               321           322           323           324           325 
      1  -0.112818D+01 -0.139040D+01  0.271555D+00 -0.127328D+01  0.194600D+01
      2  -0.198229D+01  0.271555D+00 -0.884889D+00 -0.115255D+01 -0.120407D+01
      3  -0.186297D+01 -0.127328D+01 -0.115255D+01 -0.280371D+01 -0.165821D+01
               326           327           328           329           330 
      1  -0.120407D+01 -0.165821D+01 -0.143454D+01 -0.274059D+00  0.218401D+00
      2   0.985437D+00  0.141265D+01 -0.274059D+00 -0.150307D+01 -0.138845D+01
      3   0.141265D+01  0.437361D+01  0.218401D+00 -0.138845D+01 -0.154906D+01
               331           332           333           334           335 
      1   0.108203D+01  0.605733D+00  0.145223D+01 -0.163557D+02 -0.773487D+00
      2   0.605733D+00 -0.140404D+01 -0.179093D+01 -0.773487D+00 -0.102561D+01
      3   0.145223D+01 -0.179093D+01 -0.635244D+01 -0.390292D+01 -0.107196D+00
               336           337           338           339           340 
      1  -0.390292D+01 -0.941639D+00 -0.149181D+01  0.687240D+00 -0.267457D+01
      2  -0.107196D+00 -0.149181D+01  0.192948D+00 -0.426636D+00 -0.239578D+00
      3  -0.245962D+01  0.687240D+00 -0.426636D+00  0.997563D+00 -0.124194D+01
               341           342           343           344           345 
      1  -0.239578D+00 -0.124194D+01 -0.785053D+00  0.354250D+00 -0.102103D+01
      2   0.209166D+00  0.140404D+00  0.354250D+00  0.675184D+00 -0.706008D+00
      3   0.140404D+00 -0.127684D+01 -0.102103D+01 -0.706008D+00  0.134963D+01
               346           347           348           349           350 
      1   0.421045D+00 -0.455483D-01  0.273140D+00 -0.320427D+00  0.560882D+00
      2  -0.455483D-01  0.162132D+01 -0.186954D+01  0.560882D+00 -0.154206D+01
      3   0.273140D+00 -0.186954D+01  0.403966D+01 -0.774065D+00  0.231335D+01
               351           352           353           354           355 
      1  -0.774065D+00 -0.561083D+01  0.327553D+01  0.190061D+01  0.494729D+01
      2   0.231335D+01  0.327553D+01 -0.209275D+01 -0.240112D+00 -0.323994D+01
      3  -0.663153D+01  0.190061D+01 -0.240112D+00 -0.629971D+00  0.669521D+00
               356           357           358           359           360 
      1  -0.323994D+01  0.669521D+00  0.138514D+01 -0.912724D+00 -0.281459D+01
      2   0.496656D+01  0.567482D+00 -0.912724D+00  0.625956D+00  0.646104D+00
      3   0.567482D+00  0.194770D+01 -0.281459D+01  0.646104D+00 -0.599505D+00
               361           362           363           364           365 
      1   0.506859D+01  0.210005D+01  0.533355D+00  0.184788D+01  0.930578D+00
      2   0.210005D+01  0.133881D+01 -0.293664D+00  0.930578D+00  0.778855D+00
      3   0.533355D+00 -0.293664D+00  0.313332D+01 -0.172098D+00  0.670679D+00
               366           367           368           369           370 
      1  -0.172098D+00 -0.107882D+01 -0.512334D+00  0.194218D+01 -0.510619D+00
      2   0.670679D+00 -0.512334D+00  0.278584D+00  0.684501D+00 -0.327006D+00
      3   0.217342D+01  0.194218D+01  0.684501D+00 -0.210717D+00  0.132798D+01
               371           372           373           374           375 
      1  -0.327006D+00  0.132798D+01 -0.105227D+01 -0.103567D+01  0.124898D+01
      2  -0.132625D+00 -0.104751D+00 -0.103567D+01 -0.349724D+01  0.307479D+01
      3  -0.104751D+00 -0.210948D+00  0.124898D+01  0.307479D+01 -0.485774D+01
               376           377           378           379           380 
      1   0.129306D+01  0.610400D+00 -0.140207D+01 -0.420009D+01  0.203109D+01
      2   0.610400D+00  0.211493D+01 -0.266711D+01  0.203109D+01 -0.164521D+01
      3  -0.140207D+01 -0.266711D+01  0.511359D+01  0.287943D+01 -0.142631D+01
               381           382           383           384           385 
      1   0.287943D+01  0.244965D+01 -0.232537D+01 -0.235357D+01  0.130392D+01
      2  -0.142631D+01 -0.232537D+01  0.255994D+01  0.249098D+01 -0.111804D+01
      3  -0.229017D+01 -0.235357D+01  0.249098D+01  0.365202D+01 -0.239312D+01
               386           387           388           389           390 
      1  -0.111804D+01 -0.239312D+01 -0.301630D+01 -0.792465D+00 -0.191015D+01
      2   0.141034D+01  0.125446D+01 -0.792465D+00 -0.869127D+00 -0.774217D+00
      3   0.125446D+01  0.378415D+01 -0.191015D+01 -0.774217D+00 -0.867465D+00
               391           392           393           394           395 
      1  -0.567564D+00 -0.133686D+01 -0.923982D+00 -0.361625D+01 -0.138877D+01
      2  -0.133686D+01 -0.138616D+01 -0.599105D+00 -0.138877D+01 -0.105102D+01
      3  -0.923982D+00 -0.599105D+00 -0.128042D+01 -0.161629D+01 -0.121568D+01
               396           397           398           399           400 
      1  -0.161629D+01 -0.547901D+01  0.267440D+01  0.267863D+01  0.980639D+01
      2  -0.121568D+01  0.267440D+01 -0.119762D+01 -0.689469D+00 -0.200934D+01
      3  -0.405207D+01  0.267863D+01 -0.689469D+00 -0.374881D+01 -0.234899D+01
               401           402           403           404           405 
      1  -0.200934D+01 -0.234899D+01  0.403093D+01 -0.727661D+00 -0.292036D+01
      2   0.179848D+01  0.109421D+01 -0.727661D+00  0.935058D+00  0.286907D+00
      3   0.109421D+01  0.105739D+01 -0.292036D+01  0.286907D+00  0.182772D+01
               406           407           408           409           410 
      1  -0.193079D+01 -0.749872D+00  0.133429D+01 -0.264073D+01 -0.297482D+01
      2  -0.749872D+00 -0.300532D+00  0.251424D+00 -0.297482D+01 -0.487513D+01
      3   0.133429D+01  0.251424D+00 -0.589178D-01  0.170455D+01  0.289172D+01
               411           412           413           414           415 
      1   0.170455D+01  0.313952D+01  0.173434D+01 -0.255642D+01  0.816553D+00
      2   0.289172D+01  0.173434D+01  0.294229D+01 -0.265805D+01 -0.219803D+01
      3  -0.288987D+01 -0.255642D+01 -0.265805D+01  0.307582D+01 -0.119555D+01
               416           417           418           419           420 
      1  -0.219803D+01 -0.119555D+01 -0.992583D+00  0.131151D+01  0.604333D-02
      2   0.314341D+01  0.830922D+00  0.131151D+01 -0.365182D+01 -0.129253D+01
      3   0.830922D+00  0.262454D+01  0.604333D-02 -0.129253D+01  0.762403D+00
               421           422           423           424           425 
      1  -0.949401D+00  0.869740D+00  0.120067D+01 -0.762917D+01 -0.468912D+01
      2   0.869740D+00 -0.298422D+01 -0.131435D+01 -0.468912D+01 -0.534632D+01
      3   0.120067D+01 -0.131435D+01 -0.922647D+00  0.853380D+00  0.903414D+00
               426           427           428           429           430 
      1   0.853380D+00 -0.121191D+01 -0.357638D+01  0.949443D+00 -0.872683D+00
      2   0.903414D+00 -0.357638D+01 -0.573729D+01  0.547144D+00  0.157581D+00
      3  -0.779037D+00  0.949443D+00  0.547144D+00 -0.243012D+01 -0.886818D+00
               431           432           433           434           435 
      1   0.157581D+00 -0.886818D+00  0.107779D+01 -0.823131D+00  0.106298D+01
      2  -0.180687D+00 -0.981098D+00 -0.823131D+00  0.925558D+00 -0.520351D+00
      3  -0.981098D+00  0.154534D+01  0.106298D+01 -0.520351D+00  0.298319D+01
               436           437           438           439           440 
      1   0.298632D+00  0.275657D+00  0.131589D+00  0.540199D+00 -0.292011D+00
      2   0.275657D+00 -0.313272D-01  0.768404D+00 -0.292011D+00  0.221612D+01
      3   0.131589D+00  0.768404D+00 -0.151665D+00  0.115580D+01 -0.205334D+01
               441           442           443           444           445 
      1   0.115580D+01  0.398039D+00  0.317982D+00  0.135684D+01  0.982186D+00
      2  -0.205334D+01  0.317982D+00  0.126298D+00 -0.109366D+00  0.102620D+01
      3   0.702911D+01  0.135684D+01 -0.109366D+00  0.205794D+00  0.121345D+01
               446           447           448           449           450 
      1   0.102620D+01  0.121345D+01  0.128167D+01  0.605045D+00  0.140430D+01
      2   0.350363D+01  0.307404D+01  0.605045D+00  0.211370D+01  0.266470D+01
      3   0.307404D+01  0.486495D+01  0.140430D+01  0.266470D+01  0.510108D+01
               451           452           453           454           455 
      1  -0.522963D+01 -0.211523D+01  0.615695D+00 -0.188368D+01 -0.934344D+00
      2  -0.211523D+01 -0.134314D+01 -0.285860D+00 -0.934344D+00 -0.781239D+00
      3   0.615695D+00 -0.285860D+00 -0.311027D+01  0.162888D-01  0.681527D+00
               456           457           458           459           460 
      1   0.162888D-01 -0.941369D+00 -0.508952D+00 -0.192883D+01  0.413684D+01
      2   0.681527D+00 -0.508952D+00  0.278408D+00 -0.685314D+00 -0.203385D+01
      3  -0.217569D+01 -0.192883D+01 -0.685314D+00 -0.216645D+00  0.301437D+01
               461           462           463           464           465 
      1  -0.203385D+01  0.301437D+01 -0.242407D+01  0.232039D+01 -0.222198D+01
      2   0.163667D+01 -0.142605D+01  0.232039D+01 -0.255058D+01  0.248957D+01
      3  -0.142605D+01  0.229766D+01 -0.222198D+01  0.248957D+01 -0.366327D+01
               466           467           468           469           470 
      1   0.130928D+01 -0.111991D+01  0.229427D+01  0.178484D+01  0.729560D+00
      2  -0.111991D+01  0.141291D+01 -0.126160D+01  0.729560D+00  0.301604D+00
      3   0.229427D+01 -0.126160D+01  0.380311D+01  0.140497D+01  0.256532D+00
               471           472           473           474           475 
      1   0.140497D+01  0.262981D+01  0.296909D+01  0.165939D+01  0.306698D+01
      2   0.256532D+00  0.296909D+01  0.486975D+01  0.289224D+01  0.172618D+01
      3   0.120484D+00  0.165939D+01  0.289224D+01  0.289869D+01  0.257025D+01
               476           477           478           479           480 
      1   0.172618D+01  0.257025D+01  0.537158D+01 -0.267719D+01  0.234502D+01
      2   0.294117D+01  0.265761D+01 -0.267719D+01  0.120391D+01 -0.709073D+00
      3   0.265761D+01  0.309020D+01  0.234502D+01 -0.709073D+00  0.375548D+01
               481           482           483           484           485 
      1  -0.978668D+01  0.200904D+01 -0.237757D+01  0.395456D+01 -0.740722D+00
      2   0.200904D+01 -0.179901D+01  0.109568D+01 -0.740722D+00  0.935810D+00
      3  -0.237757D+01  0.109568D+01 -0.106796D+01  0.287729D+01 -0.288742D+00
               486           487           488           489           490 
      1   0.287729D+01  0.306476D+01  0.791330D+00 -0.181918D+01  0.584297D+00
      2  -0.288742D+00  0.791330D+00  0.860578D+00 -0.772849D+00  0.133413D+01
      3   0.182951D+01 -0.181918D+01 -0.772849D+00  0.850128D+00 -0.939345D+00
               491           492           493           494           495 
      1   0.133413D+01 -0.939345D+00 -0.356946D+01 -0.138554D+01  0.163234D+01
      2   0.137884D+01 -0.593560D+00 -0.138554D+01 -0.104564D+01  0.120641D+01
      3  -0.593560D+00  0.126752D+01  0.163234D+01  0.120641D+01 -0.405187D+01
               496           497           498           499           500 
      1   0.162961D+02  0.769721D+00 -0.388401D+01  0.705864D+00  0.145907D+01
      2   0.769721D+00  0.103331D+01 -0.105485D+00  0.145907D+01 -0.198440D+00
      3  -0.388401D+01 -0.105485D+00  0.243835D+01  0.827634D+00 -0.417075D+00
               501           502           503           504           505 
      1   0.827634D+00 -0.244038D+01 -0.211138D+00  0.125778D+01  0.811540D+00
      2  -0.417075D+00 -0.211138D+00  0.217223D+00 -0.145407D+00 -0.353051D+00
      3  -0.982426D+00  0.125778D+01 -0.145407D+00 -0.128164D+01 -0.111865D+01
               506           507           508           509           510 
      1  -0.353051D+00 -0.111865D+01 -0.426160D+00  0.498879D-01  0.421146D+00
      2  -0.672841D+00 -0.704975D+00  0.498879D-01 -0.162746D+01 -0.186566D+01
      3  -0.704975D+00 -0.134362D+01  0.421146D+00 -0.186566D+01 -0.404427D+01
               511           512           513           514           515 
      1  -0.421097D+00  0.563496D+00  0.830386D+00 -0.192987D+01  0.120611D+01
      2   0.563496D+00 -0.154587D+01 -0.231577D+01  0.120611D+01 -0.981350D+00
      3   0.830386D+00 -0.231577D+01 -0.662171D+01 -0.154668D+01  0.141309D+01
               516           517           518           519           520 
      1  -0.154668D+01  0.141201D+01  0.258630D+00  0.148614D+00  0.112542D+01
      2   0.141309D+01  0.258630D+00  0.149830D+01 -0.138990D+01  0.633547D+00
      3  -0.437888D+01  0.148614D+00 -0.138990D+01  0.156461D+01 -0.121258D+01
               521           522           523           524           525 
      1   0.633547D+00 -0.121258D+01  0.752102D+01  0.412659D+01 -0.181815D+01
      2  -0.139744D+01  0.179987D+01  0.412659D+01  0.452972D+01 -0.108990D+01
      3   0.179987D+01 -0.639411D+01 -0.181815D+01 -0.108990D+01  0.133105D+01
               526           527           528           529           530 
      1   0.520868D+01  0.564454D+01 -0.117319D+01 -0.159796D+01  0.240058D+00
      2   0.564454D+01  0.669505D+01 -0.198129D+01  0.240058D+00 -0.881334D+00
      3  -0.117319D+01 -0.198129D+01  0.186131D+01  0.162099D+01  0.115883D+01
               531           532           533           534           535 
      1   0.162099D+01  0.516410D+01 -0.330271D+01  0.193501D+01 -0.531081D+01
      2   0.115883D+01 -0.330271D+01  0.208611D+01 -0.237860D+00  0.322414D+01
      3  -0.281478D+01  0.193501D+01 -0.237860D+00  0.643451D+00  0.877082D+00
               536           537           538           539           540 
      1   0.322414D+01  0.877082D+00  0.993891D+00 -0.946536D+00  0.300126D+01
      2  -0.497073D+01  0.577697D+00 -0.946536D+00  0.629467D+00 -0.631754D+00
      3   0.577697D+00 -0.193749D+01  0.300126D+01 -0.631754D+00 -0.597793D+00
               541           542           543           544           545 
      1   0.755815D+01  0.468285D+01  0.841113D+00  0.114435D+01  0.356113D+01
      2   0.468285D+01  0.534544D+01  0.901404D+00  0.356113D+01  0.572908D+01
      3   0.841113D+00  0.901404D+00  0.760454D+00  0.670820D+00  0.535309D+00
               546           547           548           549           550 
      1   0.670820D+00 -0.934075D+00  0.151130D+00  0.727756D+00 -0.789045D+00
      2   0.535309D+00  0.151130D+00 -0.178633D+00  0.978819D+00  0.219660D+01
      3   0.241268D+01  0.727756D+00  0.978819D+00  0.152689D+01 -0.101348D+01
               551           552           553           554           555 
      1   0.219660D+01 -0.101348D+01  0.111330D+01 -0.130967D+01  0.247748D+00
      2  -0.313575D+01  0.841946D+00 -0.130967D+01  0.365412D+01 -0.129067D+01
      3   0.841946D+00 -0.264217D+01  0.247748D+00 -0.129067D+01 -0.749204D+00
               556           557           558           559           560 
      1  -0.940921D+00  0.874029D+00 -0.126281D+01 -0.108499D+01  0.820440D+00
      2   0.874029D+00 -0.299048D+01  0.131955D+01  0.820440D+00 -0.928498D+00
      3  -0.126281D+01  0.131955D+01 -0.942383D+00  0.118848D+01 -0.517685D+00
               561           562           563           564           565 
      1   0.118848D+01 -0.328120D+00 -0.282468D+00  0.142353D+00  0.564642D+00
      2  -0.517685D+00 -0.282468D+00  0.293055D-01  0.766147D+00 -0.296723D+00
      3  -0.296367D+01  0.142353D+00  0.766147D+00  0.146238D+00 -0.126877D+01
               566           567 
      1  -0.296723D+00 -0.126877D+01
      2   0.221464D+01  0.204864D+01
      3   0.204864D+01  0.699809D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.898086D+01 -0.729911D+01  0.644328D+01  0.258373D+01  0.241343D+01
      2  -0.315240D+02 -0.206871D+01  0.276086D+02  0.158323D+02  0.307384D+01
      3   0.522818D+03  0.130424D+03 -0.833698D+02 -0.580370D+03 -0.135860D+03
                 6             7             8             9            10 
      1  -0.483380D+01 -0.103498D+02  0.584309D+01  0.261454D+01 -0.168989D+02
      2  -0.153561D+02 -0.110055D+02  0.218169D+02  0.152595D+02  0.668272D+02
      3   0.234969D+03  0.128751D+04  0.168069D+03  0.142653D+03  0.904990D+03
                11            12            13            14            15 
      1   0.666162D+01  0.243394D+01  0.399856D+01  0.189748D+01  0.113763D+02
      2   0.734833D+01  0.355949D+02 -0.421791D+02 -0.166712D+02 -0.953603D+00
      3  -0.417387D+02 -0.150255D+04 -0.231707D+04  0.754874D+02 -0.236913D+04
                16            17            18            19            20 
      1   0.324565D+02  0.483092D+01  0.293967D+01  0.584002D+02 -0.645753D+01
      2  -0.245352D+02 -0.187776D+02  0.275315D+01 -0.451755D+02  0.269131D+01
      3  -0.267573D+04 -0.193163D+03 -0.203282D+04 -0.361622D+04 -0.282015D+02
                21            22            23            24            25 
      1  -0.593384D+02 -0.141207D+03 -0.104330D+02  0.119646D+03  0.523986D+02
      2   0.111700D+00  0.422164D+03  0.558539D+01 -0.842870D+03 -0.771117D+03
      3  -0.809443D+01  0.166952D+05  0.293283D+03 -0.175283D+05 -0.180258D+04
                26            27            28            29            30 
      1   0.318539D+01 -0.371137D+02 -0.165185D+03 -0.105935D+02  0.131705D+03
      2  -0.212704D+02 -0.125514D+03 -0.837356D+03 -0.849098D+02 -0.151000D+03
      3   0.656213D+03  0.385057D+03 -0.727299D+04 -0.192698D+04  0.377588D+03
                31            32            33            34            35 
      1   0.241320D+03  0.146418D+01 -0.213046D+03  0.955315D+02  0.117233D+02
      2  -0.750004D+03 -0.339163D+02  0.761672D+03 -0.435951D+03 -0.448050D+02
      3  -0.456957D+05 -0.371541D+04  0.785768D+05 -0.120652D+05 -0.725541D+03
                36            37            38            39            40 
      1  -0.535654D+02  0.212976D+02 -0.259557D+00  0.155660D+02  0.185426D+02
      2  -0.206547D+03  0.486391D+02  0.218422D+01 -0.921929D+02 -0.114658D+03
      3   0.193441D+05  0.235133D+04  0.661340D+03  0.672372D+04  0.633611D+04
                41            42            43            44            45 
      1   0.111514D+02 -0.110214D+02 -0.103374D+03  0.701606D+01  0.165087D+01
      2  -0.444921D+02 -0.623168D+02  0.821823D+03  0.101332D+03  0.232335D+03
      3   0.120140D+04 -0.106492D+05  0.467910D+04 -0.130791D+03  0.464823D+04
                46            47            48            49            50 
      1   0.303025D+02  0.770613D+01 -0.525948D+01  0.273833D+02 -0.759948D+01
      2  -0.271678D+03 -0.479640D+02 -0.276342D+02 -0.162662D+03 -0.211794D+02
      3  -0.249244D+04 -0.281124D+03  0.118236D+04 -0.192228D+04 -0.342977D+03
                51            52            53            54            55 
      1  -0.378906D+01 -0.499725D+01  0.307221D+01  0.150852D+02 -0.168735D+02
      2  -0.775407D+02 -0.539279D+02 -0.201740D+02 -0.806236D+02 -0.490643D+02
      3   0.116281D+04  0.468391D+02 -0.404710D+02  0.340729D+04  0.138888D+04
                56            57            58            59            60 
      1   0.430373D+01  0.328760D+01 -0.339284D+02 -0.707688D+01 -0.687593D+01
      2  -0.849938D+00  0.275347D+02  0.343945D+03  0.678270D+02 -0.636244D+01
      3   0.209612D+03  0.187720D+04  0.619628D+03 -0.631228D+02  0.784781D+04
                61            62            63            64            65 
      1  -0.122450D+02  0.549609D+01  0.114241D+01  0.631132D+03  0.503062D+02
      2  -0.353418D+01  0.115651D+02 -0.550661D+02 -0.433566D+04 -0.419577D+03
      3   0.211571D+04  0.172892D+03 -0.327269D+04 -0.599949D+05 -0.239763D+04
                66            67            68            69            70 
      1  -0.189931D+03  0.428120D+03  0.449287D+02  0.311451D+02  0.385542D+03
      2   0.765675D+03 -0.431017D+04 -0.445244D+03 -0.168296D+03 -0.354648D+04
      3   0.242614D+06  0.255841D+05  0.329975D+04  0.173832D+06 -0.192809D+04
                71            72            73            74            75 
      1   0.207046D+02  0.553264D+01 -0.168408D+02  0.260980D-01  0.249708D+03
      2  -0.309877D+03  0.231565D+03  0.802445D+02 -0.175555D+01 -0.112405D+04
      3   0.545591D+03  0.253515D+05  0.342933D+05  0.110754D+05  0.305816D+03
                76            77            78            79            80 
      1  -0.797600D+01 -0.103598D+00  0.612919D+02 -0.497579D+03 -0.148619D+01
      2   0.672095D+02  0.276702D+01 -0.741599D+03  0.576336D+04  0.191093D+03
      3  -0.465384D+05  0.591930D+03  0.568782D+03 -0.605293D+04 -0.251524D+03
                81            82            83            84            85 
      1   0.742799D+01  0.434371D+03  0.295870D+02 -0.718665D+01 -0.287548D+03
      2  -0.436663D+02 -0.423090D+04 -0.447394D+03 -0.928033D+03  0.383635D+04
      3   0.767032D+05  0.154603D+05 -0.128120D+04  0.184358D+06  0.330851D+05
                86            87            88            89            90 
      1  -0.264601D+02 -0.627720D+02 -0.862056D+02 -0.188044D+02  0.360214D+02
      2   0.491632D+03  0.443629D+03  0.217515D+03  0.203244D+03  0.411447D+03
      3  -0.407876D+04 -0.178811D+06  0.139629D+05  0.683758D+03 -0.889098D+05
                91            92            93            94            95 
      1  -0.404813D+02  0.384145D+01 -0.135036D+02 -0.179597D+03  0.431007D+00
      2   0.214553D+03  0.608478D+02  0.784876D+03  0.142424D+04  0.701151D+02
      3  -0.233785D+04 -0.190815D+04 -0.401352D+04 -0.969369D+04  0.375996D+04
                96            97            98            99           100 
      1   0.710695D+02 -0.101069D+03  0.105109D+02 -0.724923D+02  0.273281D+02
      2   0.291265D+03  0.364725D+03  0.734312D+00  0.585394D+02 -0.311937D+03
      3  -0.619910D+05 -0.192688D+04  0.370759D+03  0.712270D+04  0.177764D+04
               101           102           103           104           105 
      1   0.518203D+01 -0.893399D+01  0.144277D+02 -0.428231D+01  0.311696D+02
      2  -0.310457D+02 -0.607491D+01 -0.165939D+03  0.263943D+02  0.498391D+02
      3   0.229410D+03  0.113056D+05  0.329291D+04 -0.140215D+04  0.392931D+04
               106           107           108           109           110 
      1   0.242563D+02  0.197635D+02  0.353974D+02  0.291561D+02  0.161942D+00
      2   0.280941D+03 -0.454873D+02 -0.639079D+02 -0.934346D+02 -0.121081D+02
      3  -0.172055D+04 -0.737543D+03 -0.512423D+03 -0.112596D+04 -0.398863D+03
               111           112           113           114           115 
      1   0.132599D+02 -0.328354D+02  0.293407D+01 -0.209619D+02  0.278565D+02
      2   0.529468D+01  0.141610D+03  0.217433D+02  0.413285D+01 -0.172868D+03
      3   0.566546D+04  0.954309D+03  0.434303D+03 -0.743769D+04 -0.100355D+04
               116           117           118           119           120 
      1  -0.463071D+01  0.185576D+02 -0.187983D+02  0.462513D+01 -0.698714D+01
      2  -0.135392D+02  0.133195D+02  0.753747D+02  0.871713D+01  0.289470D+01
      3  -0.257792D+03  0.724733D+04  0.646058D+03  0.161324D+02  0.186168D+04
               121           122           123           124           125 
      1  -0.308366D+01 -0.101510D+02 -0.259896D+01 -0.158455D+02  0.105065D+02
      2   0.466427D+02  0.182319D+02  0.275763D+02  0.572076D+02  0.111473D+01
      3  -0.416111D+03 -0.145319D+03 -0.260708D+04  0.407899D+03 -0.568040D+02
               126           127           128           129           130 
      1   0.189062D+02  0.841213D+01 -0.434479D+01  0.524771D+01  0.680552D+00
      2  -0.339385D+02  0.227639D+02  0.820259D+01 -0.712003D+01 -0.106323D+03
      3  -0.267855D+04 -0.921543D+03 -0.183624D+03  0.668004D+03  0.208094D+03
               131           132           133           134           135 
      1   0.322560D+01  0.122080D+01  0.478271D+01  0.359090D+01 -0.160973D+01
      2  -0.336162D+02 -0.215457D+02 -0.984272D+01 -0.205982D+02  0.111273D+02
      3   0.107821D+03 -0.346634D+04  0.354428D+03  0.899234D+02  0.137953D+04
               136           137           138           139           140 
      1   0.136886D+02 -0.303812D+01  0.334056D+01 -0.797437D+01  0.319716D+00
      2  -0.288701D+02 -0.461533D+01 -0.812923D+00 -0.197171D+02 -0.173065D+02
      3  -0.950519D+02  0.277932D+00  0.215731D+04 -0.652202D+02  0.244881D+02
               141           142           143           144           145 
      1  -0.175275D+02  0.539212D+01 -0.675338D+01 -0.679511D+01 -0.605397D+03
      2  -0.652109D+01 -0.188181D+02 -0.169271D+02  0.974230D+01  0.424042D+04
      3   0.786240D+03 -0.594133D+02  0.157399D+02 -0.539309D+03 -0.213287D+05
               146           147           148           149           150 
      1  -0.489256D+02 -0.233942D+03 -0.424569D+03 -0.444847D+02  0.163990D+00
      2   0.414012D+03  0.999530D+03  0.429258D+04  0.442002D+03 -0.688912D+01
      3  -0.105103D+04 -0.242787D+06  0.533671D+05  0.422804D+04 -0.174050D+06
               151           152           153           154           155 
      1   0.387718D+03  0.206474D+02 -0.117294D+01  0.144626D+03  0.924484D+01
      2  -0.352212D+04 -0.308128D+03 -0.253155D+03  0.857967D+03  0.887361D+02
      3  -0.220050D+04 -0.638192D+03  0.257861D+05 -0.707241D+04 -0.196851D+04
               156           157           158           159           160 
      1   0.132569D+03 -0.213995D+03 -0.259890D+00 -0.227729D+03  0.889380D+02
      2  -0.157333D+03  0.664275D+03  0.304057D+02  0.842527D+03 -0.476986D+03
      3  -0.203508D+03 -0.332957D+05 -0.325466D+04 -0.786322D+05  0.908154D+04
               161           162           163           164           165 
      1   0.115171D+02  0.571911D+02 -0.225166D+02  0.268240D+00  0.144014D+02
      2  -0.464635D+02  0.186819D+03 -0.381631D+02 -0.208165D+01 -0.856212D+02
      3   0.608203D+03  0.193939D+05  0.346527D+04  0.702596D+03 -0.675042D+04
               166           167           168           169           170 
      1  -0.175922D+02 -0.109270D+02 -0.899787D+01 -0.103679D+03  0.707037D+01
      2   0.120972D+03  0.438431D+02 -0.731372D+02  0.864658D+03  0.102476D+03
      3   0.464734D+04  0.114636D+04  0.106775D+05 -0.544171D+04  0.994461D+02
               171           172           173           174           175 
      1  -0.614392D+00  0.159306D+02 -0.432341D+01  0.302151D+01  0.349283D+02
      2  -0.237737D+03  0.445821D+02  0.483353D+00  0.291072D+02 -0.340697D+03
      3   0.460328D+04  0.167304D+04  0.218348D+03 -0.182175D+04  0.185007D+04
               176           177           178           179           180 
      1   0.711621D+01 -0.840149D+01 -0.133629D+02  0.540190D+01 -0.173623D+01
      2  -0.674171D+02  0.185064D+01 -0.583879D+01  0.116711D+02  0.583132D+02
      3  -0.149598D+02 -0.785670D+04 -0.157413D+04 -0.155325D+03 -0.331688D+04
               181           182           183           184           185 
      1   0.169310D+02 -0.667277D+01  0.278282D+01 -0.659028D+01 -0.202730D+01
      2  -0.742430D+02 -0.754801D+01  0.339401D+02  0.409308D+02  0.164073D+02
      3   0.691300D+03 -0.561406D+02  0.152485D+04 -0.265986D+04  0.579511D+02
               186           187           188           189           190 
      1   0.119276D+02  0.330872D+02  0.481267D+01 -0.336270D+01 -0.504068D+02
      2  -0.395165D+01 -0.284359D+02 -0.189960D+02 -0.691444D+00  0.515010D+02
      3   0.235939D+04  0.297156D+04  0.203425D+03 -0.202537D+04 -0.364823D+04
               191           192           193           194           195 
      1   0.698087D+01 -0.596521D+02  0.125335D+03  0.965950D+01  0.123295D+03
      2  -0.260190D+01  0.246713D+01 -0.309849D+03  0.104056D+01 -0.861788D+03
      3   0.116326D+01  0.169019D+01  0.139809D+05  0.199794D+03  0.177067D+05
               196           197           198           199           200 
      1   0.467220D+02  0.290318D+01  0.369181D+02  0.801148D+01  0.725361D+01
      2  -0.794221D+03 -0.217979D+02  0.126519D+03  0.294532D+02  0.184785D+01
      3   0.174599D+04 -0.666253D+03  0.440534D+03  0.499090D+03  0.128943D+03
               201           202           203           204           205 
      1   0.642587D+01 -0.267850D+01 -0.244256D+01 -0.496439D+01 -0.897538D+01
      2   0.272480D+02 -0.879424D+01 -0.256563D+01 -0.149105D+02 -0.809748D+01
      3   0.606523D+02 -0.555336D+03 -0.133091D+03 -0.242740D+03 -0.133835D+04
               206           207           208           209           210 
      1   0.591807D+01 -0.265641D+01 -0.313918D+02 -0.781796D+01 -0.534579D+01
      2   0.221170D+02 -0.151433D+02  0.282637D+03  0.486351D+02 -0.269155D+02
      3  -0.166650D+03  0.122435D+03 -0.230309D+04 -0.277305D+03 -0.121541D+04
               211           212           213           214           215 
      1  -0.276709D+02  0.754746D+01 -0.398404D+01 -0.373039D+01  0.310266D+01
      2   0.176569D+03  0.218689D+02 -0.766606D+02 -0.666105D+02 -0.206386D+02
      3  -0.175425D+04 -0.336955D+03 -0.116255D+04 -0.576698D+03  0.237726D+02
               216           217           218           219           220 
      1  -0.145185D+02 -0.129309D+02  0.312009D+01  0.286553D+01  0.800070D+01
      2   0.778074D+02  0.282129D+02  0.463271D+01  0.108780D+01  0.184971D+02
      3   0.339507D+04  0.249452D+03  0.126584D+02 -0.214820D+04  0.593961D+02
               221           222           223           224           225 
      1  -0.365299D+00 -0.176909D+02  0.561856D+01 -0.671801D+01  0.673595D+01
      2   0.172276D+02 -0.603425D+01 -0.199829D+02 -0.169960D+02 -0.901660D+01
      3   0.288185D+02 -0.792239D+03  0.145392D+03 -0.118337D+02 -0.547555D+03
               226           227           228           229           230 
      1  -0.833013D+01  0.432368D+01  0.509220D+01 -0.104061D+01 -0.320995D+01
      2  -0.230706D+02 -0.802441D+01 -0.616472D+01  0.105492D+03  0.334438D+02
      3  -0.817000D+03 -0.180247D+03 -0.682364D+03 -0.342600D+03  0.859952D+02
               231           232           233           234           235 
      1   0.194814D+01  0.534353D+01  0.365317D+01  0.187886D+01  0.182957D+02
      2  -0.248898D+02 -0.948806D+01 -0.206374D+02 -0.124084D+02 -0.760999D+02
      3   0.345707D+04 -0.569275D+03 -0.956646D+02  0.134987D+04  0.941481D+03
               236           237           238           239           240 
      1  -0.462504D+01 -0.730320D+01  0.339476D+01  0.101372D+02 -0.224218D+01
      2  -0.879097D+01  0.470296D+01 -0.494851D+02 -0.182764D+02  0.251366D+02
      3   0.266499D+02 -0.182306D+04 -0.837635D+03 -0.160232D+03  0.257056D+04
               241           242           243           244           245 
      1  -0.153316D+02  0.104853D+02 -0.194762D+02  0.420650D+02 -0.431661D+01
      2   0.542783D+02  0.983940D+00  0.365719D+02 -0.329334D+03 -0.649052D+02
      3   0.251219D+02  0.718798D+02 -0.268514D+04 -0.292966D+04 -0.197733D+04
               246           247           248           249           250 
      1  -0.130709D+02  0.165220D+03 -0.470082D+00  0.820057D+02 -0.112736D+03
      2   0.781272D+03 -0.145251D+04 -0.754460D+02  0.233045D+03  0.375535D+03
      3   0.369317D+04 -0.195722D+05  0.337594D+04  0.620488D+05  0.894701D+03
               251           252           253           254           255 
      1   0.101173D+02  0.740137D+02 -0.260399D+02 -0.511070D+01 -0.108540D+02
      2   0.116172D+01 -0.669946D+02  0.309661D+03  0.309651D+02  0.439323D+01
      3  -0.426779D+03  0.716427D+04  0.357785D+04  0.283687D+03 -0.113185D+05
               256           257           258           259           260 
      1  -0.182763D+02  0.372563D+01  0.304739D+02  0.298650D+02  0.201041D+02
      2   0.154210D+03 -0.256630D+02  0.532734D+02  0.269851D+03 -0.463868D+02
      3   0.395254D+04 -0.137076D+04 -0.396114D+04  0.178827D+04  0.743968D+03
               261           262           263           264           265 
      1  -0.355401D+02 -0.305261D+02 -0.284057D+00  0.122468D+02  0.351366D+02
      2   0.636546D+02  0.934834D+02  0.123436D+02  0.108320D+02 -0.142149D+03
      3  -0.557429D+03 -0.211062D+03 -0.366516D+03 -0.565206D+04 -0.249976D+03
               266           267           268           269           270 
      1  -0.274299D+01 -0.196591D+02  0.284407D+02 -0.456458D+01 -0.172456D+02
      2  -0.220132D+02 -0.313594D+01 -0.172217D+03 -0.137085D+02 -0.202018D+02
      3   0.392150D+03  0.742639D+04 -0.165346D+03  0.215871D+03  0.723369D+04
               271           272           273           274           275 
      1  -0.426065D+03 -0.293842D+02 -0.395585D+02  0.297215D+03  0.258992D+02
      2   0.432860D+04  0.454996D+03 -0.758472D+03 -0.390062D+04 -0.489793D+03
      3   0.449232D+05 -0.252383D+03 -0.184411D+06  0.450728D+04 -0.500455D+04
               276           277           278           279           280 
      1  -0.313533D+02 -0.797396D+02 -0.187039D+02 -0.524467D+02 -0.119962D+02
      2   0.278083D+03  0.276015D+03  0.206036D+03 -0.319738D+03  0.265646D+03
      3   0.178344D+06  0.400789D+02 -0.168415D+03 -0.887086D+05  0.130474D+04
               281           282           283           284           285 
      1   0.139296D+01  0.443774D+00  0.841113D+01  0.217334D+01 -0.549648D+01
      2   0.112990D+02  0.441641D+02 -0.172382D+03  0.510190D+00 -0.314253D+02
      3   0.127832D+02 -0.878200D+04 -0.192368D+04 -0.415094D+01  0.544844D+04
               286           287           288           289           290 
      1  -0.131006D+02 -0.224678D+01  0.120901D+02 -0.163509D+01 -0.644292D+00
      2   0.214789D+03  0.185256D+02  0.260824D+02  0.148391D+02  0.788639D+01
      3   0.100957D+04  0.572302D+02 -0.800599D+04 -0.121538D+04  0.174069D+03
               291           292           293           294           295 
      1  -0.865027D+01  0.185968D+01 -0.135568D+01 -0.245225D+02 -0.300644D+01
      2   0.133079D+01 -0.333523D+02  0.798697D+01  0.697248D+01 -0.183424D+02
      3  -0.732642D+02 -0.143858D+04  0.130491D+03  0.113215D+04  0.372369D+03
               296           297           298           299           300 
      1  -0.370152D+01  0.891573D+01  0.223252D+01  0.722082D+00 -0.863757D+01
      2  -0.183929D+01 -0.368658D+01 -0.141581D+02 -0.804969D+01  0.113125D+01
      3  -0.367862D+02 -0.144020D+02 -0.122622D+04  0.172317D+03  0.909993D+02
               301           302           303           304           305 
      1   0.698333D+00  0.153645D+01 -0.247412D+02 -0.214885D+01 -0.365148D+01
      2   0.338193D+02 -0.808140D+01  0.771379D+01 -0.188776D+02 -0.188417D+01
      3  -0.124888D+04  0.135484D+03 -0.113173D+04 -0.366162D+03  0.362726D+02
               306           307           308           309           310 
      1  -0.893085D+01  0.126274D+02 -0.138519D+01  0.205748D+01 -0.795776D+01
      2   0.364016D+01 -0.271628D+03 -0.116111D+02  0.360502D+02  0.178255D+03
      3  -0.150310D+02 -0.867571D+02 -0.374128D+02  0.875676D+04 -0.105243D+04
               311           312           313           314           315 
      1  -0.211174D+01 -0.649376D+01 -0.129724D+02 -0.223895D+01 -0.135332D+02
      2  -0.266019D+00 -0.265002D+02  0.216821D+03  0.186903D+02 -0.185473D+02
      3   0.255247D+02 -0.543077D+04  0.263549D+03 -0.127433D+02 -0.799411D+04
               316           317           318           319           320 
      1  -0.265275D+01  0.558351D+01  0.185272D+01  0.465508D+01  0.401424D+01
      2   0.151434D+02  0.106980D+01 -0.194821D+02 -0.181873D+02 -0.260275D+01
      3  -0.577126D+02 -0.300393D+02 -0.115045D+03  0.455799D+03  0.115406D+03
               321           322           323           324           325 
      1  -0.349982D+01 -0.943969D+01 -0.165340D+00  0.406433D+01  0.367479D+00
      2   0.201293D+02  0.850245D+02  0.164169D+02 -0.367441D+02 -0.912373D+00
      3  -0.206161D+03 -0.356048D+03 -0.653607D+02 -0.134474D+04 -0.491440D+02
               326           327           328           329           330 
      1   0.652654D+00  0.511552D+01 -0.178563D+01 -0.139508D+01 -0.148404D+01
      2  -0.115993D+02 -0.113341D+02  0.122200D+02  0.898331D+01  0.723350D+01
      3   0.126301D+02  0.488412D+03  0.385580D+02  0.323304D+02 -0.268132D+03
               331           332           333           334           335 
      1   0.537227D+01  0.172403D+00 -0.994032D+01 -0.182035D+01  0.368009D+01
      2  -0.251386D+02  0.647932D+01  0.408973D+02  0.149106D+01  0.545821D+00
      3   0.183501D+03  0.641191D+02 -0.958939D+03  0.156796D+03 -0.100680D+02
               336           337           338           339           340 
      1   0.324868D+01  0.637493D+01  0.101648D+01  0.608400D+01  0.291449D+01
      2   0.681506D+01 -0.394368D+01  0.104447D+01 -0.982003D-01  0.211600D+02
      3  -0.297883D+02  0.395244D+03  0.677386D+02  0.543997D+03  0.444895D+03
               341           342           343           344           345 
      1   0.557806D+00  0.405365D+01 -0.222879D+01 -0.286717D+01 -0.331500D+00
      2   0.138923D+01  0.305265D+01  0.130723D+02  0.546044D+01 -0.136515D+02
      3   0.697180D+02 -0.952125D+02 -0.406406D+02 -0.210930D+00 -0.400325D+03
               346           347           348           349           350 
      1  -0.653332D+00 -0.577701D+01  0.186362D+01 -0.280374D+01  0.565227D+01
      2  -0.103256D+02  0.100623D+02 -0.142754D+02 -0.154850D+01 -0.136700D+02
      3  -0.866345D+02  0.184097D+02  0.538433D+03 -0.145251D+03 -0.317144D+02
               351           352           353           354           355 
      1  -0.895712D+01 -0.127149D+01  0.135051D+00  0.982055D+01  0.583485D+01
      2   0.351953D+02  0.196162D+01  0.875469D+00 -0.111648D+02 -0.806578D+01
      3  -0.231493D+03  0.857698D+03  0.715295D+02  0.159626D+03  0.616101D+03
               356           357           358           359           360 
      1  -0.125307D+01  0.467031D+00 -0.598114D+01  0.202766D+01 -0.652535D+01
      2  -0.804246D+00 -0.647773D+01 -0.591839D+00 -0.422730D+01  0.532560D+01
      3   0.617514D+02  0.918970D+03 -0.700259D+03 -0.572152D+02 -0.662528D+03
               361           362           363           364           365 
      1   0.104788D+02  0.367897D+01  0.511690D+01  0.516310D+01  0.361382D+01
      2  -0.225891D+02 -0.519519D+01 -0.257874D+02 -0.191525D+02 -0.760663D+01
      3   0.293343D+03  0.489481D+02  0.369102D+03  0.215938D+02 -0.164832D+00
               366           367           368           369           370 
      1   0.295346D+01  0.792330D+00  0.236132D+01  0.426666D+01  0.220899D+01
      2  -0.125782D+02 -0.575093D+01 -0.256613D+01 -0.293938D+01 -0.103403D+02
      3   0.778284D+03  0.318979D+03  0.153330D+02 -0.385535D+02  0.202874D+03
               371           372           373           374           375 
      1  -0.639298D+00  0.150074D+01 -0.180451D+01 -0.121198D+02  0.740189D+01
      2   0.992855D+00 -0.498969D+01  0.192938D+01 -0.117916D+02  0.163784D+02
      3   0.141703D+02  0.158739D+03  0.137479D+03 -0.151885D+02 -0.663325D+02
               376           377           378           379           380 
      1   0.121926D+01  0.810540D+01 -0.690934D+01  0.832190D+01 -0.696949D+01
      2  -0.334292D+01  0.101409D+02 -0.206819D+02 -0.367926D+01  0.880404D+00
      3  -0.887787D+00  0.117004D+02 -0.197333D+02  0.886808D+02 -0.146694D+02
               381           382           383           384           385 
      1  -0.242558D+01 -0.800337D+01  0.108502D+02  0.735794D+01 -0.517923D+01
      2   0.847258D+00  0.272001D+01 -0.571782D+01 -0.827494D+01  0.620964D+01
      3   0.489304D+03 -0.796385D+02  0.250006D+02  0.513763D+03 -0.351486D+02
               386           387           388           389           390 
      1   0.635490D+01  0.481577D+01 -0.466281D+01 -0.157253D+01 -0.434306D+01
      2  -0.240879D+01 -0.566755D+01  0.107957D+02  0.556669D+01  0.181072D+02
      3   0.194922D+02  0.418600D+03 -0.134399D+03 -0.112606D+02  0.301579D+03
               391           392           393           394           395 
      1  -0.278705D+01 -0.171580D+01 -0.496085D+01 -0.331178D+01 -0.164648D+01
      2   0.189369D+01  0.517886D+01  0.123252D+02  0.102145D+02  0.925129D+01
      3  -0.473299D+02 -0.141647D+02 -0.488105D+02  0.949035D+02  0.126661D+01
               396           397           398           399           400 
      1  -0.933804D+01  0.859108D+01 -0.313044D+01 -0.102367D+01 -0.378758D+01
      2   0.342808D+02 -0.195531D+02 -0.148622D+01  0.480302D+01 -0.272434D+02
      3  -0.839500D+02  0.284427D+03 -0.361696D+02 -0.137972D+04 -0.379153D+02
               401           402           403           404           405 
      1   0.492455D+01  0.977824D+00 -0.540311D+01  0.250914D+01  0.164520D+01
      2  -0.774874D+01 -0.328085D+01  0.495375D+01 -0.138040D+01 -0.592293D+00
      3   0.223118D+02 -0.114601D+03 -0.175601D+03 -0.485352D+01  0.175479D+03
               406           407           408           409           410 
      1   0.148146D+01 -0.312034D+00  0.222158D+01 -0.927553D+00 -0.283349D+01
      2   0.295659D+01  0.241178D+00 -0.201873D+01 -0.448250D+01 -0.157365D+02
      3   0.266382D+03  0.650806D+02  0.254939D+03  0.617519D+02 -0.220539D+02
               411           412           413           414           415 
      1  -0.632767D+00 -0.236621D+01  0.119600D+01  0.119855D+01 -0.653699D+01
      2   0.166918D+02  0.896514D+01  0.153930D+02 -0.143104D+02  0.117809D+02
      3  -0.161879D+03 -0.137988D+03  0.613417D+01 -0.246191D+02 -0.150677D+03
               416           417           418           419           420 
      1   0.529853D+01  0.651310D+01  0.616379D+01 -0.724554D+01 -0.463167D+01
      2  -0.892499D+00 -0.167255D+01 -0.782120D+01  0.308265D+01  0.236005D+01
      3   0.258703D+02  0.728443D+03 -0.271710D+03 -0.249762D+02  0.905574D+03
               421           422           423           424           425 
      1   0.710686D+01 -0.547685D+01 -0.477332D+01 -0.385007D+01 -0.104742D+01
      2  -0.212309D+02  0.387922D+01 -0.237873D+01  0.201231D+02  0.437670D+01
      3   0.143421D+02  0.116515D+01  0.216644D+03  0.154202D+03  0.189122D+02
               426           427           428           429           430 
      1  -0.309739D+01  0.881702D+00 -0.270078D+01 -0.404325D+00 -0.320294D+01
      2   0.152452D+01 -0.316467D+01  0.275366D+01 -0.371494D+01  0.610286D+01
      3  -0.597278D+02  0.233175D+03  0.194583D+02 -0.105391D+04 -0.182960D+03
               431           432           433           434           435 
      1  -0.197544D+01  0.780963D+00  0.532857D+01 -0.685944D+00  0.860251D+01
      2   0.394965D+01  0.481644D+00 -0.240843D+02  0.357496D+00 -0.588268D+01
      3  -0.246162D+02  0.569030D+03  0.101463D+02  0.313289D+02  0.470414D+03
               436           437           438           439           440 
      1   0.722629D+00  0.254979D+01  0.631371D+00  0.308208D+01 -0.212857D+01
      2  -0.116870D+00 -0.169643D+01 -0.456887D+01 -0.707904D+01  0.607140D+01
      3   0.371298D+02  0.249925D+01  0.346169D+02  0.137623D+02 -0.592157D+01
               441           442           443           444           445 
      1   0.225573D+02 -0.245303D+01  0.605894D+00  0.142965D+01  0.141393D+01
      2  -0.151395D+02  0.106805D+02 -0.999364D+00 -0.478095D+01 -0.178416D+01
      3   0.407362D+03  0.223252D+03  0.149249D+02 -0.155863D+03  0.121669D+03
               446           447           448           449           450 
      1   0.121216D+02  0.739800D+01  0.786747D+00  0.806632D+01  0.691111D+01
      2   0.118139D+02  0.163566D+02 -0.327766D+01  0.101310D+02  0.205464D+02
      3  -0.156618D+02  0.726342D+02  0.984047D+01 -0.107401D+02 -0.213347D+02
               451           452           453           454           455 
      1  -0.111246D+02 -0.371748D+01  0.503710D+01 -0.546769D+01 -0.363089D+01
      2   0.245963D+02  0.527591D+01 -0.252142D+02  0.204635D+02  0.768879D+01
      3   0.351332D+03  0.519510D+02 -0.357845D+03  0.138494D+03  0.379613D+01
               456           457           458           459           460 
      1   0.279761D+01  0.115615D+01  0.238287D+01 -0.431183D+01 -0.873760D+01
      2  -0.117590D+02 -0.531689D+01 -0.249742D+01  0.301346D+01  0.482815D+01
      3  -0.780455D+03 -0.307927D+03 -0.144003D+02 -0.366249D+02  0.167274D+03
               461           462           463           464           465 
      1   0.691624D+01 -0.252229D+01  0.802013D+01 -0.108071D+02  0.727618D+01
      2  -0.836079D+00  0.144645D+01 -0.233629D+01  0.572470D+01 -0.768067D+01
      3  -0.121781D+02 -0.490575D+03 -0.506543D-01  0.268295D+02 -0.518735D+03
               466           467           468           469           470 
      1  -0.522458D+01  0.638506D+01 -0.472104D+01 -0.181228D+01  0.289899D+00
      2   0.616231D+01 -0.244300D+01  0.528374D+01 -0.311075D+01 -0.307159D+00
      3  -0.334462D+02 -0.219742D+02  0.421441D+03  0.316037D+03  0.683519D+02
               471           472           473           474           475 
      1   0.217540D+01  0.608558D+00  0.283049D+01 -0.590090D+00 -0.256572D+01
      2  -0.172210D+01  0.422942D+01  0.157438D+02  0.165888D+02  0.919941D+01
      3  -0.218011D+03  0.318075D+02 -0.234706D+02  0.165668D+03  0.141586D+03
               476           477           478           479           480 
      1   0.119940D+01 -0.119476D+01 -0.876344D+01  0.314387D+01 -0.717698D+00
      2   0.154102D+02  0.143592D+02  0.200268D+02  0.145590D+01  0.315601D+01
      3  -0.604819D+01 -0.180617D+02  0.815333D+02 -0.426862D+02  0.137287D+04
               481           482           483           484           485 
      1   0.394178D+01 -0.492473D+01  0.105639D+01 -0.544708D+01  0.253972D+01
      2   0.267698D+02  0.775069D+01 -0.361301D+01  0.562380D+01 -0.138663D+01
      3  -0.536732D+02  0.213377D+02  0.111699D+03  0.150481D+03  0.394826D+01
               486           487           488           489           490 
      1  -0.163547D+01  0.476554D+01  0.156852D+01 -0.442888D+01  0.287363D+01
      2   0.589062D+00 -0.114570D+02 -0.563718D+01  0.183407D+02 -0.213079D+01
      3   0.173245D+03 -0.836341D+02 -0.946783D+01 -0.311806D+03 -0.541885D+02
               491           492           493           494           495 
      1   0.171540D+01 -0.495007D+01 -0.320022D+01 -0.163536D+01  0.930609D+01
      2  -0.516560D+01  0.121842D+02  0.103023D+02  0.923908D+01 -0.340733D+02
      3  -0.145405D+02  0.465993D+02 -0.859375D+02 -0.155945D+01 -0.901619D+02
               496           497           498           499           500 
      1   0.106444D+01 -0.374620D+01  0.333183D+01 -0.739465D+01 -0.107586D+01
      2  -0.108359D+01 -0.463849D+00  0.667618D+01  0.344685D+01 -0.104910D+01
      3   0.169159D+03 -0.915116D+01  0.252008D+02  0.477169D+03  0.719019D+02
               501           502           503           504           505 
      1   0.598204D+01  0.360327D+01  0.588519D+00 -0.405899D+01  0.250808D+01
      2   0.573972D+00  0.222335D+02  0.143026D+01 -0.308800D+01 -0.126822D+02
      3  -0.535690D+03 -0.428516D+03 -0.695098D+02 -0.108032D+03 -0.107219D+03
               506           507           508           509           510 
      1   0.288625D+01 -0.284915D+00  0.841491D+00  0.579184D+01  0.177923D+01
      2  -0.543883D+01 -0.139345D+02  0.995011D+01 -0.100920D+02 -0.138728D+02
      3  -0.217977D+01  0.403546D+03  0.886682D+00  0.211493D+02 -0.543451D+03
               511           512           513           514           515 
      1  -0.306557D+01  0.561829D+01  0.894081D+01  0.462225D-01 -0.626938D+00
      2  -0.223181D+01 -0.137022D+02 -0.350053D+02 -0.644469D+00  0.115064D+02
      3   0.182976D+03  0.331760D+02 -0.224730D+03  0.211972D+02  0.145494D+02
               516           517           518           519           520 
      1   0.501486D+01  0.175221D+01  0.140098D+01 -0.143735D+01  0.509551D+01
      2  -0.108488D+02 -0.122411D+02 -0.901205D+01  0.700046D+01 -0.225073D+02
      3  -0.491615D+03 -0.643500D+01  0.313057D+02  0.275296D+03 -0.319467D+02
               521           522           523           524           525 
      1   0.145045D+00  0.976489D+01  0.194485D+01 -0.561542D+01  0.188089D+01
      2   0.669687D+01 -0.401209D+02 -0.118001D+02 -0.944303D+00 -0.196900D+02
      3  -0.595441D+02 -0.976465D+03 -0.852589D+02 -0.310560D+02  0.134318D+03
               526           527           528           529           530 
      1  -0.462829D+01 -0.400196D+01 -0.342900D+01 -0.879198D+01 -0.149105D+00
      2   0.152046D+02  0.232852D+01  0.197149D+02  0.780466D+02  0.161199D+02
      3   0.418351D+03  0.113700D+03  0.208405D+03  0.570660D+03  0.717314D+02
               531           532           533           534           535 
      1  -0.431042D+01  0.238796D+00 -0.169488D+00  0.971844D+01 -0.609708D+01
      2   0.378212D+02 -0.531712D+00 -0.863559D+00 -0.106967D+02  0.696695D+01
      3  -0.135178D+04  0.875381D+03  0.737646D+02 -0.150056D+03  0.748445D+03
               536           537           538           539           540 
      1   0.125057D+01  0.210099D+00 -0.668381D+01  0.200188D+01  0.642359D+01
      2   0.738555D+00 -0.536736D+01 -0.645387D-01 -0.423280D+01 -0.483322D+01
      3   0.660478D+02 -0.910298D+03  0.815702D+03  0.627425D+02 -0.663327D+03
               541           542           543           544           545 
      1   0.371235D+01  0.103728D+01 -0.307532D+01 -0.137737D+01  0.265439D+01
      2  -0.198006D+02 -0.437054D+01  0.142020D+01  0.414584D+01 -0.268165D+01
      3   0.145256D+03  0.174497D+02  0.495870D+02  0.615361D+02  0.132850D+02
               546           547           548           549           550 
      1  -0.241643D+00 -0.328872D+01 -0.198320D+01 -0.657491D+00  0.667514D+01
      2  -0.474996D+01  0.615310D+01  0.395151D+01 -0.106742D+01 -0.116539D+02
      3   0.104714D+04  0.840418D+02  0.206554D+02  0.557242D+03 -0.352005D+02
               551           552           553           554           555 
      1  -0.529597D+01  0.639221D+01 -0.632419D+01  0.725134D+01 -0.481446D+01
      2   0.930722D+00 -0.105857D+01  0.778537D+01 -0.310857D+01  0.328618D+01
      3   0.303910D+02 -0.738890D+03 -0.123004D+03 -0.201853D+02 -0.900740D+03
               556           557           558           559           560 
      1   0.735954D+01 -0.548427D+01  0.484445D+01 -0.533092D+01  0.694012D+00
      2  -0.219646D+02  0.388494D+01  0.216808D+01  0.233057D+02 -0.432686D+00
      3  -0.519142D+02 -0.233722D+01  0.210059D+03  0.847840D+02  0.343559D+02
               561           562           563           564           565 
      1   0.853278D+01 -0.903849D+00 -0.255916D+01  0.612408D+00  0.287932D+01
      2  -0.542945D+01  0.116179D+01  0.176133D+01 -0.454525D+01 -0.607722D+01
      3  -0.455500D+03  0.429847D+02  0.306951D+01 -0.416900D+02 -0.772684D+02
               566           567 
      1  -0.214499D+01 -0.224509D+02
      2   0.612358D+01  0.147531D+02
      3   0.387143D+01  0.396517D+03
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.128388D+03 -0.155266D+02  0.370339D+02 -0.868247D+01  0.286567D+02
      2   0.774302D+02  0.184536D+02 -0.147759D+02  0.332228D+01 -0.180683D+02
      3   0.509574D+02 -0.292702D+01 -0.222580D+02  0.536019D+01 -0.105885D+02
      4  -0.685912D+00  0.175018D+02  0.789947D+01  0.763695D+01 -0.140131D+02
      5   0.501302D+02  0.879527D+01  0.119962D+02 -0.125445D+01 -0.272737D+00
      6   0.228330D+00 -0.500647D+01 -0.167590D+01 -0.388278D+01  0.319137D+01
                 6             7             8             9            10 
      1   0.698592D+01 -0.156074D+02  0.479125D+01  0.305619D+02 -0.271160D+02
      2   0.713117D+01  0.190420D+02  0.807889D+01 -0.117105D+02  0.212783D+02
      3  -0.141171D+02 -0.343458D+01 -0.128701D+02 -0.188514D+02  0.583772D+01
      4   0.906482D+01  0.230531D+02 -0.108960D+01  0.382772D+02  0.362868D+02
      5   0.359211D+02  0.297379D+02  0.346367D+02 -0.536174D+01 -0.557569D+01
      6  -0.478553D+00  0.390255D+01  0.353591D+01 -0.114664D+02 -0.161044D+00
                11            12            13            14            15 
      1   0.980135D+01  0.559648D+01  0.247419D+02 -0.438379D+02  0.223794D+02
      2  -0.123045D+01 -0.574372D+01 -0.839477D+01  0.256826D+02 -0.213459D+02
      3  -0.857090D+01  0.147231D+00 -0.163471D+02  0.181553D+02 -0.103355D+01
      4  -0.345617D+02 -0.271250D+02 -0.119555D+03  0.488741D+01 -0.766934D+02
      5   0.124236D+02 -0.263601D+02  0.219372D+02 -0.203557D+02 -0.526895D+02
      6   0.317238D+01 -0.227638D+01 -0.241649D+00 -0.121742D+01 -0.106866D+02
                16            17            18            19            20 
      1   0.242636D+02  0.928900D+01 -0.350620D+02  0.145871D+03  0.585745D+02
      2  -0.256070D+02 -0.956866D+01  0.208284D+02 -0.866765D+02 -0.454333D+02
      3   0.134345D+01  0.279662D+00  0.142336D+02 -0.591941D+02 -0.131412D+02
      4  -0.550962D+02 -0.184976D+02 -0.878955D+02 -0.390845D+02  0.849600D+02
      5  -0.602606D+02 -0.344977D+02  0.679424D+01 -0.442954D+01  0.159070D+01
      6  -0.763413D+01 -0.706367D+01 -0.229019D+00  0.149701D+02 -0.557902D+01
                21            22            23            24            25 
      1  -0.361580D+02 -0.507460D+02  0.278718D+02  0.456628D+02 -0.179526D+02
      2   0.214005D+02  0.585445D+02 -0.775399D+01 -0.627766D+02  0.115279D+02
      3   0.147575D+02 -0.779849D+01 -0.201178D+02  0.171139D+02  0.642473D+01
      4   0.198233D+01  0.446886D+03  0.840696D+02 -0.409105D+03 -0.436177D+02
      5   0.192862D+02 -0.147243D+02  0.959430D+01  0.484155D+02  0.648593D+02
      6  -0.269204D+01 -0.496646D+01  0.543709D-01  0.189795D+02  0.137325D+02
                26            27            28            29            30 
      1  -0.405474D+01  0.172373D+02 -0.124310D+03  0.162226D+02  0.496394D+02
      2   0.380235D+01 -0.216049D+02  0.259890D+02 -0.241133D+02 -0.468210D+02
      3   0.252384D+00  0.436761D+01  0.983212D+02  0.789069D+01 -0.281840D+01
      4   0.268392D+02  0.345950D+02 -0.224429D+03 -0.250690D+02 -0.166548D+02
      5   0.167262D+02  0.898094D+01  0.465883D+01 -0.436122D+01 -0.152206D+02
      6   0.861670D+01 -0.830167D+00 -0.529690D+02 -0.101703D+02 -0.631392D+01
                31            32            33            34            35 
      1   0.204486D+03  0.555133D+02 -0.295975D+03  0.705175D+02 -0.256906D+01
      2  -0.211940D+03 -0.592553D+02  0.311055D+03 -0.656445D+02 -0.453113D+01
      3   0.745376D+01  0.374198D+01 -0.150801D+02 -0.487306D+01  0.710019D+01
      4  -0.109050D+04 -0.547324D+02  0.183485D+04 -0.306600D+03 -0.160411D+02
      5   0.434038D+00 -0.345592D+01 -0.320492D+02  0.383570D+02  0.198102D+02
      6   0.122293D+02 -0.113796D+02 -0.345404D+02  0.178088D+02  0.417282D+01
                36            37            38            39            40 
      1  -0.815141D+02 -0.152712D+02  0.110452D+02 -0.283055D+02  0.102111D+03
      2   0.663597D+02  0.505091D+02  0.628243D+01  0.357195D+02 -0.309028D+02
      3   0.151544D+02 -0.352379D+02 -0.173277D+02 -0.741393D+01 -0.712078D+02
      4   0.471217D+03  0.102701D+03  0.305081D+02  0.178701D+03  0.224209D+03
      5   0.129630D+02 -0.278642D+01  0.237911D+02 -0.278768D+02  0.519982D+02
      6  -0.977417D+01  0.241227D+02  0.991762D+01 -0.725471D+01  0.173423D+02
                41            42            43            44            45 
      1   0.146451D+02  0.682396D+02 -0.623744D+02  0.332805D+02 -0.543033D+02
      2   0.126656D+01 -0.626298D+02  0.458100D+02 -0.288874D+02  0.482476D+02
      3  -0.159117D+02 -0.560974D+01  0.165644D+02 -0.439311D+01  0.605572D+01
      4   0.368702D+02 -0.250114D+03  0.149536D+03  0.329661D+01  0.841796D+02
      5  -0.116483D+02  0.250023D+02 -0.944243D+02 -0.230840D+02  0.136991D+02
      6  -0.365266D+01  0.847873D+01 -0.402941D+02 -0.849578D+01  0.177709D+02
                46            47            48            49            50 
      1   0.148559D+02 -0.236917D+02  0.215848D+02 -0.257912D+02 -0.407988D+02
      2  -0.258201D+02 -0.664492D+01 -0.186284D+01 -0.472532D+01  0.171380D+02
      3   0.109642D+02  0.303366D+02 -0.197219D+02  0.305166D+02  0.236607D+02
      4  -0.105074D+03 -0.603219D+02  0.305527D+02 -0.117098D+03 -0.301857D+02
      5   0.309310D+02  0.762169D+01  0.216301D+02  0.199204D+02  0.305351D+02
      6   0.204866D+02  0.102245D+02  0.154743D+02  0.209602D+02  0.131126D+02
                51            52            53            54            55 
      1  -0.144353D+02 -0.133320D+01 -0.215028D+02  0.315258D+02 -0.444197D+02
      2   0.120174D+02  0.896771D+01  0.134223D+02 -0.160295D+02  0.405936D+01
      3   0.241796D+01 -0.763451D+01  0.808045D+01 -0.154962D+02  0.403604D+02
      4   0.462985D+02 -0.204360D+02 -0.848752D+01  0.870022D+02 -0.308260D+02
      5  -0.251597D+01  0.436534D+02  0.506135D+01 -0.228396D+02  0.154912D+02
      6  -0.824865D+01  0.217575D+02 -0.414202D+01 -0.524332D+01 -0.950798D+01
                56            57            58            59            60 
      1  -0.689461D+02  0.149497D+02 -0.140087D+03  0.450745D+01 -0.571305D+02
      2   0.426403D+02 -0.179333D+02  0.788051D+02 -0.122482D+02  0.456716D+02
      3   0.263058D+02  0.298365D+01  0.612816D+02  0.774072D+01  0.114589D+02
      4  -0.207257D+01  0.281203D+02  0.814805D+01  0.869363D+01  0.212482D+03
      5  -0.254114D+02  0.486925D+02 -0.567405D+02  0.284771D+02  0.288205D+02
      6  -0.184276D+01  0.538571D+01 -0.711636D+01  0.189192D+01  0.143359D+02
                61            62            63            64            65 
      1   0.438682D+02 -0.236262D+02  0.662673D+02  0.346882D+03  0.194785D+02
      2  -0.298924D+02  0.167873D+02 -0.348684D+02 -0.275184D+03 -0.110571D+02
      3  -0.139758D+02  0.683897D+01 -0.313989D+02 -0.716977D+02 -0.842148D+01
      4   0.506211D+02  0.378840D+02 -0.380252D+02 -0.136168D+04 -0.817085D+02
      5   0.685328D+02  0.269112D+02  0.351604D+00  0.207830D+03  0.150357D+02
      6   0.127209D+02  0.114469D+02  0.607454D+01  0.137977D+03  0.131385D+02
                66            67            68            69            70 
      1  -0.749325D+03 -0.449030D+02 -0.212631D+02 -0.475841D+03  0.319629D+02
      2   0.855039D+03  0.674531D+02  0.276297D+02  0.569656D+03 -0.247605D+02
      3  -0.105714D+03 -0.225501D+02 -0.636660D+01 -0.938145D+02 -0.720238D+01
      4   0.566229D+04  0.675533D+03  0.102655D+03  0.404849D+04 -0.384825D+02
      5  -0.179055D+02  0.180190D+03  0.218184D+02  0.215341D+02  0.143037D+03
      6  -0.376637D+02  0.590422D+02  0.790290D+01  0.223115D+02  0.685506D+02
                71            72            73            74            75 
      1  -0.178765D+01 -0.291487D+02 -0.257960D+03 -0.323674D+02 -0.106725D+01
      2   0.178939D+01  0.629575D+02  0.159443D+03  0.316083D+02  0.105507D+01
      3  -0.173782D-02 -0.338088D+02  0.985173D+02  0.759154D+00  0.121806D-01
      4   0.124561D+02  0.593033D+03  0.790104D+03  0.224690D+03  0.730549D+01
      5   0.144800D+02 -0.991524D+01 -0.504935D+01 -0.797901D-01  0.355837D+02
      6   0.116826D+02  0.970720D-02 -0.324148D+01 -0.712409D+00  0.122004D+02
                76            77            78            79            80 
      1   0.121427D+02 -0.263851D+02 -0.170266D+01  0.323742D+02  0.122981D+01
      2  -0.901284D+02  0.141991D+02  0.187266D+01 -0.273948D+02 -0.108934D+01
      3   0.779857D+02  0.121860D+02 -0.170000D+00 -0.497936D+01 -0.140470D+00
      4  -0.126655D+04  0.225206D+02  0.134102D+02 -0.139366D+03 -0.572617D+01
      5  -0.119149D+01 -0.707508D-01  0.209932D+02 -0.216667D+03 -0.546620D+01
      6   0.553629D+01  0.512379D-01 -0.362565D+02 -0.100878D+03 -0.129222D+00
                81            82            83            84            85 
      1  -0.435946D+03 -0.222913D+02 -0.607648D+02 -0.608341D+03 -0.472253D+02
      2   0.342058D+03  0.705250D+02  0.529916D+02  0.628489D+03  0.771378D+02
      3   0.938882D+02 -0.482337D+02  0.777312D+01 -0.201479D+02 -0.299125D+02
      4   0.176012D+04  0.307691D+03 -0.351058D+02  0.429108D+04  0.841034D+03
      5   0.664092D+00  0.164954D+03  0.157337D+02  0.576429D+02 -0.146455D+03
      6  -0.387244D+01  0.107893D+03  0.770617D+01  0.213852D+02 -0.681173D+02
                86            87            88            89            90 
      1   0.515573D+01  0.506692D+03 -0.607514D+02 -0.397357D+01  0.347221D+03
      2  -0.236129D+01 -0.560813D+03  0.589997D+02  0.128783D+01 -0.344296D+03
      3  -0.279443D+01  0.541218D+02  0.175170D+01  0.268574D+01 -0.292544D+01
      4  -0.961654D+02 -0.416154D+04  0.329245D+03  0.183800D+02 -0.206880D+04
      5  -0.197416D+02 -0.207145D+02 -0.133887D+02 -0.669185D+01 -0.880043D+01
      6   0.210923D-01  0.313094D+02 -0.881027D+01  0.731777D+01  0.103487D+02
                91            92            93            94            95 
      1  -0.428030D+02  0.259098D+02  0.759674D+02 -0.988954D+02 -0.106184D+03
      2  -0.112532D+02 -0.264257D+02 -0.339978D+02  0.765755D+02  0.815342D+02
      3   0.540562D+02  0.515822D+00 -0.419696D+02  0.223200D+02  0.246500D+02
      4   0.490497D+01 -0.824135D+02 -0.999305D+02 -0.359205D+03 -0.625421D+02
      5  -0.151538D+02 -0.468420D+01 -0.586186D+02 -0.702296D+02 -0.148871D+02
      6  -0.493701D+02 -0.983048D+00 -0.683226D+01 -0.125659D+02  0.534163D+00
                96            97            98            99           100 
      1   0.230578D+03 -0.429198D+02 -0.143068D+02 -0.609672D+02 -0.253613D+02
      2  -0.233747D+03  0.249710D+02  0.792128D+01  0.479236D+02  0.338425D+02
      3   0.316855D+01  0.179488D+02  0.638549D+01  0.130436D+02 -0.848114D+01
      4  -0.145002D+04 -0.653340D+02 -0.900187D+01  0.151071D+03  0.640108D+01
      5  -0.315171D+02 -0.188204D+02 -0.251293D+02 -0.129794D+02  0.818744D+01
      6  -0.106114D+02 -0.885148D+01  0.126458D+02  0.387473D+00  0.949257D+01
               101           102           103           104           105 
      1  -0.229184D+02 -0.282680D+02  0.426879D+00  0.522934D+02 -0.358227D+01
      2   0.160428D+02  0.303329D+02 -0.378105D+02 -0.449533D+02  0.121911D+02
      3   0.687563D+01 -0.206482D+01  0.373836D+02 -0.734005D+01 -0.860881D+01
      4  -0.316807D+02  0.263588D+03  0.161814D+03 -0.131694D+02  0.819715D+02
      5  -0.154091D+01 -0.151876D+02  0.229996D+02  0.551770D+00 -0.723257D+01
      6  -0.337387D+01  0.109841D+02 -0.152354D+02  0.226954D+01 -0.396115D+01
               106           107           108           109           110 
      1   0.426421D+02  0.435456D+01 -0.144149D+02  0.320226D+02  0.133026D+02
      2  -0.381553D+02  0.102690D+01  0.454776D+01 -0.205147D+02 -0.206244D+02
      3  -0.448686D+01 -0.538146D+01  0.986714D+01 -0.115079D+02  0.732179D+01
      4  -0.254472D+02 -0.303510D+02 -0.394013D+01 -0.387350D+02  0.311185D+02
      5  -0.205376D+02  0.136767D+02  0.277526D+00  0.208276D+02 -0.265424D+01
      6   0.889315D+01 -0.149116D+02 -0.120630D+00 -0.110967D+02  0.317593D+01
               111           112           113           114           115 
      1  -0.112405D+02 -0.970781D+01 -0.209011D+02  0.300852D+02  0.150544D+02
      2   0.168400D+02  0.589312D+01  0.328057D+02 -0.358165D+02 -0.134852D+02
      3  -0.559944D+01  0.381469D+01 -0.119046D+02  0.573131D+01 -0.156919D+01
      4   0.119815D+03  0.309835D+02 -0.295727D+02 -0.159386D+03 -0.337707D+02
      5   0.112105D+02 -0.132622D+02  0.789279D+01 -0.498324D+01  0.267751D+02
      6  -0.845745D+01  0.385787D+01 -0.121078D+02  0.107372D+02 -0.143623D+02
               116           117           118           119           120 
      1   0.196917D+02 -0.254763D+02 -0.249056D+01 -0.327650D+02  0.128969D+01
      2  -0.242539D+02  0.280034D+02 -0.301602D+02  0.556451D+01 -0.147070D+02
      3   0.456217D+01 -0.252714D+01  0.326508D+02  0.272005D+02  0.134173D+02
      4   0.304958D+02  0.147539D+03 -0.351598D+02 -0.439634D+02  0.345550D+02
      5  -0.139592D+02  0.286196D+02 -0.479596D+01 -0.167101D+02  0.226875D+02
      6   0.198197D+02 -0.280427D+02 -0.506702D+01 -0.156571D+02  0.187904D+02
               121           122           123           124           125 
      1  -0.221561D+02 -0.200980D+02 -0.156861D+02  0.652058D+01 -0.210868D+02
      2   0.113408D+01  0.578094D+01  0.134085D+02 -0.151590D+02  0.276373D+02
      3   0.210220D+02  0.143171D+02  0.227765D+01  0.863847D+01 -0.655045D+01
      4  -0.540551D+02 -0.171159D+02 -0.598268D+02  0.383620D-02  0.124311D+01
      5  -0.178481D+02  0.783670D+01 -0.620110D+01  0.189216D+02 -0.405619D+01
      6  -0.124105D+02  0.146419D+02 -0.173852D+01  0.170620D+02 -0.515197D+01
               126           127           128           129           130 
      1   0.429220D+02  0.185393D+02  0.659559D+02 -0.150898D+02  0.126571D+03
      2  -0.213842D+02  0.230263D+01 -0.402657D+02  0.188790D+02 -0.765645D+02
      3  -0.215378D+02 -0.208419D+02 -0.256902D+02 -0.378926D+01 -0.500067D+02
      4  -0.518377D+02  0.475198D+02 -0.363969D+01  0.367961D+02 -0.168410D+02
      5  -0.181249D+02 -0.103883D+02  0.280591D+02 -0.339732D+02  0.472430D+02
      6  -0.243891D+02  0.107998D+02  0.103419D+01 -0.293256D+01 -0.364218D+01
               131           132           133           134           135 
      1  -0.148395D+02  0.542719D+02 -0.258621D+02  0.295035D+02 -0.466851D+02
      2   0.891178D+01 -0.389351D+02  0.232053D+02 -0.176463D+02  0.142839D+02
      3   0.592775D+01 -0.153369D+02  0.265682D+01 -0.118572D+02  0.324012D+02
      4  -0.215401D+02 -0.116504D+03  0.204819D+02 -0.333396D+02 -0.124976D+02
      5  -0.378460D+02 -0.272911D+02 -0.533685D+02 -0.349318D+02  0.112812D+02
      6  -0.132077D+02 -0.190263D+02 -0.115007D+02 -0.186803D+02 -0.328769D+01
               136           137           138           139           140 
      1   0.345259D+02  0.358886D+02 -0.154252D+02  0.479244D+02  0.368379D+00
      2  -0.709699D+01 -0.260873D+02  0.214047D+02 -0.323571D+02  0.144635D+02
      3  -0.274289D+02 -0.980128D+01 -0.597945D+01 -0.155673D+02 -0.148318D+02
      4   0.406225D+02 -0.534570D+01  0.687988D+02 -0.196537D+02 -0.603274D+01
      5  -0.134759D+01  0.325867D+02 -0.315720D+02  0.348015D+02 -0.427347D+02
      6   0.169441D+02 -0.518233D+01  0.563445D+01 -0.146208D+02 -0.935368D+01
               141           142           143           144           145 
      1   0.318681D+02 -0.277123D+01  0.268871D+02 -0.271802D+02  0.227378D+03
      2  -0.101726D+02  0.137398D+02 -0.704416D+01  0.368288D+01 -0.138953D+03
      3  -0.216955D+02 -0.109685D+02 -0.198430D+02  0.234973D+02 -0.884246D+02
      4  -0.211455D+02  0.130349D+02 -0.245258D+02 -0.335168D+02 -0.459254D+03
      5  -0.115542D+02 -0.328010D+02 -0.133950D+02 -0.725241D+00 -0.202324D+03
      6  -0.314240D+02  0.160741D+01 -0.210416D+02 -0.109814D+02 -0.129846D+03
               146           147           148           149           150 
      1   0.151134D+02  0.749851D+03 -0.120970D+03 -0.238312D+02  0.476533D+03
      2  -0.621508D+01 -0.855701D+03  0.158507D+03  0.306654D+02 -0.570404D+03
      3  -0.889828D+01  0.105850D+03 -0.375362D+02 -0.683420D+01  0.938713D+02
      4  -0.502762D+02 -0.566647D+04  0.132169D+04  0.124163D+03 -0.405365D+04
      5  -0.147927D+02 -0.206158D+02 -0.182441D+03 -0.218884D+02  0.196833D+02
      6  -0.127662D+02 -0.125537D+02 -0.672377D+02 -0.848122D+01  0.403577D+02
               151           152           153           154           155 
      1  -0.276947D+02  0.187526D+01 -0.304391D+02 -0.117693D+03  0.166609D+02
      2   0.148827D+02 -0.199594D+01  0.644434D+02  0.197193D+02 -0.245453D+02
      3   0.128119D+02  0.120684D+00 -0.340043D+02  0.979735D+02  0.788433D+01
      4  -0.571178D+02 -0.146368D+02  0.603214D+03 -0.224054D+03 -0.262338D+02
      5   0.141763D+03  0.144407D+02  0.101421D+02 -0.477854D+01  0.428083D+01
      6   0.688129D+02  0.117128D+02 -0.278865D+01  0.546060D+02  0.103233D+02
               156           157           158           159           160 
      1  -0.501209D+02  0.158530D+03  0.536820D+02  0.296206D+03 -0.574060D+02
      2   0.474725D+02 -0.163596D+03 -0.573495D+02 -0.311280D+03  0.535670D+02
      3   0.264843D+01  0.506591D+01  0.366755D+01  0.150734D+02  0.383898D+01
      4   0.207530D+02 -0.801516D+03 -0.438178D+02 -0.183619D+04  0.236575D+03
      5  -0.150908D+02  0.484732D+01  0.371435D+01 -0.330745D+02  0.395223D+02
      6  -0.626381D+01 -0.433624D+01  0.119187D+02 -0.265332D+02  0.160394D+02
               161           162           163           164           165 
      1   0.301029D+01 -0.816410D+02 -0.177456D+02  0.109812D+02  0.284933D+02
      2   0.411750D+01  0.665109D+02  0.541557D+02  0.637516D+01 -0.358920D+02
      3  -0.712779D+01  0.151301D+02 -0.364101D+02 -0.173563D+02  0.739865D+01
      4   0.132455D+02  0.472357D+03  0.129921D+03  0.315242D+02 -0.179301D+03
      5   0.198791D+02 -0.128213D+02  0.266652D+01 -0.237746D+02 -0.277504D+02
      6   0.404887D+01  0.781151D+01 -0.244280D+02 -0.997268D+01 -0.651610D+01
               166           167           168           169           170 
      1   0.107994D+03  0.149487D+02 -0.683875D+02  0.639879D+02 -0.333309D+02
      2  -0.367415D+02  0.102707D+01  0.627451D+02 -0.484095D+02  0.288406D+02
      3  -0.712529D+02 -0.159758D+02  0.564236D+01 -0.155784D+02  0.449023D+01
      4   0.186648D+03  0.357033D+02  0.250730D+03 -0.167277D+03 -0.412116D+01
      5  -0.524757D+02  0.116766D+02  0.250229D+02 -0.954212D+02 -0.232365D+02
      6  -0.182818D+02  0.353300D+01  0.731552D+01 -0.394598D+02 -0.855348D+01
               171           172           173           174           175 
      1  -0.539732D+02 -0.436791D+02 -0.690551D+02 -0.153281D+02 -0.144085D+03
      2   0.479459D+02  0.414026D+01  0.427137D+02  0.182190D+02  0.832886D+02
      3   0.602726D+01  0.395389D+02  0.263413D+02 -0.289090D+01  0.607960D+02
      4   0.831015D+02 -0.242222D+02 -0.185763D+01 -0.268742D+02  0.368909D+02
      5  -0.136889D+02 -0.159904D+02  0.253633D+02  0.486213D+02  0.560246D+02
      6  -0.182917D+02  0.924050D+01  0.181227D+01  0.558570D+01  0.693749D+01
               176           177           178           179           180 
      1   0.435228D+01  0.570382D+02 -0.459308D+02  0.234632D+02  0.662426D+02
      2  -0.120416D+02 -0.455390D+02  0.318826D+02 -0.166054D+02 -0.348325D+02
      3   0.768930D+01 -0.114993D+02  0.140482D+02 -0.685786D+01 -0.314101D+02
      4   0.984442D+01 -0.212574D+03 -0.384962D+02 -0.374249D+02 -0.389453D+02
      5  -0.283913D+02  0.289242D+02  0.686474D+02  0.270140D+02 -0.212464D+00
      6  -0.186659D+01  0.151434D+02  0.130036D+02  0.114972D+02 -0.574957D+01
               181           182           183           184           185 
      1  -0.254692D+02  0.997392D+01 -0.547018D+01  0.260134D+02 -0.438625D+02
      2   0.200560D+02 -0.129112D+01  0.565631D+01 -0.100350D+02  0.256522D+02
      3   0.541321D+01 -0.868280D+01 -0.186134D+00 -0.159784D+02  0.182102D+02
      4   0.312717D+02 -0.349194D+02  0.276419D+02 -0.127161D+03  0.446245D+01
      5   0.647840D+01 -0.124202D+02 -0.262986D+02 -0.213744D+02  0.202702D+02
      6   0.651085D-01 -0.321554D+01 -0.248856D+01  0.801438D+00  0.118835D+01
               186           187           188           189           190 
      1  -0.222662D+02 -0.238964D+02 -0.917392D+01 -0.350542D+02  0.140197D+03
      2   0.212941D+02  0.259110D+02  0.957164D+01  0.208125D+02 -0.834580D+02
      3   0.972137D+00 -0.201461D+01 -0.397718D+00  0.142417D+02 -0.567386D+02
      4   0.764019D+02  0.635585D+02  0.186475D+02 -0.878600D+02 -0.405815D+02
      5  -0.526019D+02 -0.599237D+02 -0.346099D+02 -0.691398D+01  0.392357D+01
      6  -0.109097D+02 -0.812112D+01 -0.714677D+01  0.380555D+00 -0.143111D+02
               191           192           193           194           195 
      1   0.582243D+02  0.361397D+02 -0.433517D+02  0.281831D+02 -0.462667D+02
      2  -0.452458D+02 -0.213974D+02  0.483993D+02 -0.817954D+01  0.634196D+02
      3  -0.129785D+02 -0.147423D+02 -0.504760D+01 -0.200035D+02 -0.171530D+02
      4   0.856699D+02 -0.214975D+01  0.381735D+03  0.819210D+02  0.413224D+03
      5  -0.162265D+01  0.193450D+02  0.102597D+02 -0.989739D+01  0.486761D+02
      6   0.558017D+01 -0.270846D+01  0.174759D+01 -0.196814D+00  0.172262D+02
               196           197           198           199           200 
      1   0.181420D+02  0.409791D+01  0.170988D+02 -0.127599D+03 -0.155088D+02
      2  -0.110820D+02 -0.383190D+01 -0.214358D+02  0.769671D+02  0.185063D+02
      3  -0.706000D+01 -0.266009D+00  0.433699D+01  0.506320D+02 -0.299751D+01
      4   0.403217D+02 -0.270887D+02  0.359429D+02 -0.721180D+00  0.175066D+02
      5   0.651876D+02  0.167535D+02 -0.901736D+01 -0.503169D+02 -0.888694D+01
      6   0.132310D+02  0.870660D+01  0.786513D+00 -0.376970D+00  0.501981D+01
               201           202           203           204           205 
      1  -0.371973D+02 -0.929036D+01  0.285870D+02 -0.703790D+01  0.146650D+02
      2   0.149131D+02  0.375971D+01 -0.180396D+02 -0.716056D+01 -0.184826D+02
      3   0.222842D+02  0.553065D+01 -0.105475D+02  0.141985D+02  0.381756D+01
      4  -0.849227D+01  0.799000D+01 -0.139051D+02 -0.924091D+01 -0.244633D+02
      5   0.117806D+02  0.837381D+00  0.289092D+00  0.359316D+02  0.293161D+02
      6  -0.168311D+01  0.395182D+01 -0.315383D+01 -0.399052D+00  0.406450D+01
               206           207           208           209           210 
      1  -0.492415D+01  0.304912D+02  0.141139D+02 -0.236968D+02 -0.215457D+02
      2  -0.804554D+01 -0.117280D+02 -0.252458D+02 -0.668245D+01  0.179320D+01
      3   0.129697D+02 -0.187632D+02  0.111319D+02  0.303792D+02  0.197525D+02
      4   0.118364D+01  0.377793D+02 -0.101273D+03 -0.602962D+02 -0.313540D+02
      5   0.345479D+02  0.534689D+01 -0.313358D+02 -0.768911D+01  0.214618D+02
      6   0.359240D+01  0.114665D+02 -0.202006D+02 -0.101891D+02  0.155322D+02
               211           212           213           214           215 
      1  -0.271351D+02 -0.408026D+02  0.145114D+02  0.303734D+01  0.215904D+02
      2  -0.373677D+01  0.171949D+02 -0.120494D+02 -0.109274D+02 -0.135631D+02
      3   0.308719D+02  0.236076D+02 -0.246196D+01  0.789004D+01 -0.802735D+01
      4  -0.113839D+03 -0.300770D+02 -0.462485D+02  0.830125D+01  0.802336D+01
      5  -0.205763D+02 -0.305434D+02 -0.252177D+01  0.440139D+02  0.513678D+01
      6  -0.208651D+02 -0.131111D+02 -0.813388D+01  0.218220D+02 -0.413669D+01
               216           217           218           219           220 
      1   0.313311D+02  0.335969D+02  0.358587D+02  0.155210D+02  0.478309D+02
      2  -0.159902D+02 -0.599684D+01 -0.259875D+02 -0.213592D+02 -0.319996D+02
      3  -0.153408D+02 -0.276001D+02 -0.987119D+01  0.583820D+01 -0.158313D+02
      4   0.867998D+02  0.483841D+02 -0.524420D+01 -0.684052D+02 -0.169923D+02
      5   0.229771D+02  0.150941D+01 -0.324225D+02 -0.315045D+02 -0.347176D+02
      6   0.498936D+01 -0.169097D+02  0.526226D+01  0.574932D+01  0.147135D+02
               221           222           223           224           225 
      1   0.785171D-01 -0.317884D+02  0.270692D+01 -0.267112D+02 -0.269631D+02
      2   0.146581D+02  0.100202D+02 -0.134692D+02  0.688711D+01  0.351706D+01
      3  -0.147366D+02  0.217682D+02  0.107623D+02  0.198241D+02  0.234461D+02
      4  -0.589699D+01  0.210052D+02 -0.109315D+02  0.246869D+02 -0.337921D+02
      5   0.427720D+02 -0.117501D+02 -0.327936D+02 -0.135058D+02  0.568243D+00
      6   0.929225D+01 -0.313032D+02  0.160061D+01 -0.210725D+02  0.110423D+02
               226           227           228           229           230 
      1   0.171552D+02  0.659962D+02  0.153167D+02  0.128555D+03 -0.147613D+02
      2   0.331256D+01 -0.402419D+02 -0.189504D+02 -0.787375D+02  0.878477D+01
      3  -0.204678D+02 -0.257543D+02  0.363367D+01 -0.498171D+02  0.597657D+01
      4   0.498045D+02 -0.351145D+01 -0.370658D+02 -0.296679D+02 -0.221695D+02
      5   0.108831D+02 -0.279954D+02 -0.339095D+02 -0.469809D+02  0.378164D+02
      6  -0.106558D+02 -0.101598D+01 -0.283417D+01  0.369054D+01  0.132197D+02
               231           232           233           234           235 
      1  -0.541492D+02  0.265071D+02 -0.293030D+02 -0.465013D+02 -0.323176D+01
      2   0.388420D+02 -0.238412D+02  0.175349D+02  0.140871D+02 -0.292380D+02
      3   0.153072D+02 -0.266590D+01  0.117681D+02  0.324142D+02  0.324698D+02
      4   0.116241D+03 -0.251827D+02  0.332077D+02 -0.132956D+02 -0.282283D+02
      5  -0.274089D+02 -0.533231D+02 -0.350808D+02 -0.113845D+02  0.457775D+01
      6  -0.193850D+02 -0.114579D+02 -0.186668D+02  0.316926D+01  0.488595D+01
               236           237           238           239           240 
      1  -0.327561D+02 -0.149051D+01 -0.209801D+02 -0.200479D+02  0.158330D+02
      2   0.559965D+01  0.149025D+02 -0.514793D+00  0.560025D+01 -0.135183D+02
      3   0.271564D+02 -0.134120D+02  0.214949D+02  0.144477D+02 -0.231469D+01
      4  -0.437544D+02 -0.336902D+02 -0.642329D+02 -0.175713D+02  0.590037D+02
      5   0.167407D+02  0.226742D+02  0.180859D+02 -0.785552D+01 -0.604421D+01
      6   0.156696D+02  0.189358D+02  0.125326D+02 -0.146509D+02 -0.194414D+01
               241           242           243           244           245 
      1  -0.804088D+01  0.209928D+02  0.428327D+02 -0.324505D+02  0.266811D+02
      2   0.167708D+02 -0.275462D+02 -0.212329D+02 -0.155350D+02 -0.268927D+02
      3  -0.872996D+01  0.655339D+01 -0.215999D+02  0.479855D+02  0.211647D+00
      4   0.100394D+02 -0.885730D+00 -0.519619D+02 -0.963777D+01 -0.840022D+02
      5   0.190116D+02 -0.393354D+01  0.181875D+02  0.198235D+02  0.492870D+01
      6   0.170210D+02 -0.505003D+01  0.247547D+02  0.494900D+02  0.123294D+01
               246           247           248           249           250 
      1  -0.748771D+02 -0.608833D+02 -0.104569D+03 -0.230725D+03  0.482433D+02
      2   0.328182D+02  0.383276D+02  0.800226D+02  0.233856D+03 -0.302528D+02
      3   0.420590D+02  0.225557D+02  0.245463D+02 -0.313157D+01 -0.179905D+02
      4   0.923386D+02 -0.586773D+03 -0.715904D+02  0.145149D+04  0.391149D+02
      5  -0.586803D+02  0.709926D+02  0.149596D+02 -0.310218D+02 -0.191540D+02
      6  -0.719544D+01  0.160747D+02 -0.780961D+00 -0.169913D+02 -0.934901D+01
               251           252           253           254           255 
      1   0.144170D+02 -0.611513D+02 -0.296553D+02 -0.230486D+02  0.283360D+02
      2  -0.809652D+01  0.481006D+02  0.389643D+02  0.161904D+02 -0.304046D+02
      3  -0.632046D+01  0.130507D+02 -0.930901D+01  0.685824D+01  0.206866D+01
      4   0.754479D+01  0.151971D+03  0.491782D+02 -0.304275D+02 -0.263805D+03
      5  -0.251357D+02  0.131510D+02 -0.820906D+01  0.155010D+01 -0.153128D+02
      6   0.126970D+02 -0.104058D+01 -0.998397D+01  0.335324D+01  0.121806D+02
               256           257           258           259           260 
      1  -0.213132D+01  0.522146D+02  0.365585D+01 -0.410221D+02 -0.430443D+01
      2  -0.345810D+02 -0.448841D+02 -0.122407D+02  0.370999D+02 -0.106829D+01
      3   0.367124D+02 -0.733045D+01  0.858484D+01  0.392211D+01  0.537272D+01
      4   0.175232D+03 -0.124217D+02 -0.827622D+02  0.282249D+02  0.305211D+02
      5  -0.224116D+02 -0.504716D+00 -0.728496D+01 -0.202784D+02  0.136837D+02
      6   0.142382D+02 -0.214505D+01 -0.358435D+01  0.872705D+01 -0.150070D+02
               261           262           263           264           265 
      1  -0.142201D+02  0.283449D+02  0.131192D+02  0.112210D+02 -0.525369D+01
      2   0.437108D+01 -0.168540D+02 -0.204657D+02 -0.168070D+02  0.132558D+01
      3   0.984902D+01 -0.114909D+02  0.734650D+01  0.558598D+01  0.392810D+01
      4  -0.503111D+01 -0.180965D+02  0.318955D+02 -0.119527D+03  0.360481D+01
      5  -0.257260D+00 -0.206533D+02  0.265479D+01  0.111637D+02  0.131852D+02
      6   0.191908D+00  0.111110D+02 -0.315453D+01 -0.789811D+01 -0.381297D+01
               266           267           268           269           270 
      1  -0.207160D+02 -0.300349D+02 -0.109138D+02 -0.195009D+02 -0.254235D+02
      2   0.326299D+02  0.357715D+02  0.920644D+01  0.240848D+02  0.279526D+02
      3  -0.119139D+02 -0.573661D+01  0.170741D+01 -0.458383D+01 -0.252906D+01
      4  -0.305947D+02  0.159127D+03  0.700776D+01 -0.314595D+02  0.147229D+03
      5  -0.788890D+01 -0.489389D+01  0.266377D+02 -0.139727D+02 -0.285440D+02
      6   0.121025D+02  0.997308D+01 -0.143732D+02  0.198151D+02  0.272897D+02
               271           272           273           274           275 
      1  -0.116602D+03 -0.643264D+02  0.608413D+03  0.335249D+02  0.783405D+01
      2   0.169039D+03  0.566189D+02 -0.628619D+03 -0.122158D+02 -0.525835D+01
      3  -0.524377D+02  0.770750D+01  0.202064D+02 -0.213090D+02 -0.257571D+01
      4   0.993170D+03 -0.111550D+02 -0.429230D+04  0.176502D+03 -0.117701D+03
      5  -0.169324D+03 -0.160155D+02  0.558451D+02  0.149114D+03  0.198039D+02
      6  -0.114069D+03 -0.771460D+01  0.405517D+02  0.632572D+02  0.351455D+00
               276           277           278           279           280 
      1  -0.505204D+03  0.494934D+01  0.190350D+01  0.346562D+03  0.233918D+02
      2   0.559213D+03 -0.416124D+01  0.744305D+00 -0.343587D+03 -0.184038D+02
      3  -0.540086D+02 -0.788097D+00 -0.264781D+01 -0.297490D+01 -0.498800D+01
      4   0.415050D+04 -0.365244D+01 -0.642267D+01 -0.206403D+04  0.151984D+02
      5  -0.187558D+02 -0.146122D+02 -0.675669D+01  0.762188D+01  0.110940D+02
      6   0.127325D+02 -0.747613D+01  0.738130D+01 -0.121507D+01 -0.154959D+02
               281           282           283           284           285 
      1   0.140751D+02  0.343464D+02  0.190225D+02 -0.459431D+01 -0.788796D+01
      2  -0.189566D+02 -0.339514D+02 -0.167792D+02  0.987615D+01  0.847636D+01
      3   0.488154D+01 -0.395041D+00 -0.224321D+01 -0.528184D+01 -0.588401D+00
      4   0.413731D+02 -0.222959D+03 -0.337912D+02 -0.198850D+02  0.138637D+03
      5  -0.115223D+02  0.193383D+02  0.480306D+01  0.108905D+02 -0.871938D+00
      6   0.799915D+01 -0.108370D+02  0.655633D+01 -0.906459D+01  0.660397D+01
               286           287           288           289           290 
      1   0.537216D+01  0.100470D+02  0.253590D+02 -0.128316D+02 -0.239245D+02
      2  -0.115627D+02 -0.911336D+01 -0.351246D+02  0.162870D+02  0.250596D+02
      3   0.619058D+01 -0.933586D+00  0.976553D+01 -0.345540D+01 -0.113505D+01
      4   0.135709D+02  0.245726D+02 -0.206491D+03 -0.262754D+02  0.130847D+02
      5   0.150166D+02 -0.144172D+02  0.331971D+02 -0.147372D+01 -0.123273D+01
      6  -0.176655D+02  0.147468D+02 -0.255818D+02 -0.620208D+01 -0.514673D+01
               291           292           293           294           295 
      1   0.841688D+01  0.340781D+01 -0.505740D+02  0.778880D+01  0.835918D+00
      2  -0.464983D+01  0.950209D+01  0.662904D+02 -0.577269D+01 -0.147519D+01
      3  -0.376705D+01 -0.129099D+02 -0.157164D+02 -0.201611D+01  0.639268D+00
      4  -0.462365D+01 -0.353107D+02 -0.156623D+02  0.287138D+02  0.864211D+01
      5   0.335831D+00  0.165808D+01  0.344257D+01 -0.209399D+01 -0.162789D+00
      6   0.573227D+01 -0.361927D+01 -0.126641D+02  0.117127D+02  0.513437D+01
               296           297           298           299           300 
      1   0.854895D+01 -0.160075D+02 -0.124382D+02 -0.238815D+02 -0.846352D+01
      2  -0.632439D+01  0.128492D+02  0.161714D+02  0.250332D+02  0.470179D+01
      3  -0.222456D+01  0.315829D+01 -0.373326D+01 -0.115168D+01  0.376173D+01
      4  -0.218008D+00 -0.216754D+01 -0.266428D+02  0.130355D+02  0.503024D+01
      5  -0.631040D+01  0.328344D+01  0.145631D+01  0.122106D+01  0.351531D+00
      6   0.173825D+02 -0.962261D+01  0.652661D+01  0.514664D+01  0.573813D+01
               301           302           303           304           305 
      1   0.313557D+01 -0.505142D+02 -0.780758D+01 -0.780584D+00 -0.852653D+01
      2   0.100323D+02  0.662334D+02  0.577577D+01  0.148552D+01  0.630274D+01
      3  -0.131679D+02 -0.157191D+02  0.203182D+01 -0.704935D+00  0.222379D+01
      4  -0.311299D+02 -0.155601D+02 -0.286955D+02 -0.859229D+01  0.192742D+00
      5  -0.165674D+01 -0.345024D+01 -0.208023D+01 -0.119835D+00 -0.629811D+01
      6   0.398013D+01  0.126696D+02  0.118393D+02  0.522845D+01  0.173687D+02
               306           307           308           309           310 
      1  -0.159984D+02  0.276021D+02  0.142530D+02 -0.342864D+02  0.168849D+02
      2   0.128329D+02 -0.230304D+02 -0.191236D+02  0.338511D+02 -0.141906D+02
      3   0.316552D+01 -0.457175D+01  0.487057D+01  0.435226D+00 -0.269423D+01
      4  -0.217075D+01 -0.172186D+02  0.401820D+02  0.222378D+03 -0.133752D+02
      5  -0.327451D+01 -0.109727D+02  0.115235D+02  0.194544D+02 -0.495390D+01
      6   0.963359D+01  0.154586D+02 -0.802450D+01 -0.117425D+02 -0.628597D+01
               311           312           313           314           315 
      1  -0.466213D+01  0.784450D+01 -0.928100D+01 -0.101810D+02  0.253127D+02
      2   0.999814D+01 -0.839205D+01  0.157539D+02  0.926508D+01 -0.350580D+02
      3  -0.533601D+01  0.547557D+00 -0.647293D+01  0.915938D+00  0.974529D+01
      4  -0.192023D+02 -0.138251D+03  0.161042D+02 -0.235078D+02 -0.206226D+03
      5  -0.108972D+02 -0.936940D+00  0.150172D+02 -0.144156D+02 -0.332727D+02
      6   0.907873D+01  0.716295D+01 -0.176600D+02  0.147654D+02  0.263915D+02
               316           317           318           319           320 
      1   0.459157D+02  0.269599D+02  0.955040D+01  0.263069D+02  0.191061D+02
      2  -0.151198D+02 -0.102244D+01 -0.412418D+01  0.281413D+01  0.135186D+02
      3  -0.307959D+02 -0.259375D+02 -0.542622D+01 -0.291210D+02 -0.326247D+02
      4   0.556194D+02  0.553264D+02  0.124407D+02  0.775407D+02  0.791114D+02
      5   0.248034D+02  0.179918D+02  0.173617D+02  0.260222D+02  0.277783D+02
      6   0.155619D+02  0.148533D+02  0.800888D+01  0.205195D+02  0.247058D+02
               321           322           323           324           325 
      1   0.284025D+01 -0.608183D+00 -0.255835D+01  0.578534D+01 -0.206757D+02
      2   0.930018D+00 -0.195050D+01 -0.341810D+00 -0.394798D+01  0.987612D+01
      3  -0.377027D+01  0.255869D+01  0.290016D+01 -0.183736D+01  0.107995D+02
      4   0.168062D+02 -0.825242D+01  0.682585D+01 -0.179382D+02  0.195556D+01
      5   0.164586D+02  0.745595D+01  0.117309D+02  0.883540D+01  0.610808D+01
      6   0.138600D+02  0.387440D+01  0.922614D+01  0.645556D+01  0.914034D+01
               326           327           328           329           330 
      1   0.193218D+02  0.298512D+02  0.739847D+01 -0.951950D+01 -0.109488D+02
      2  -0.958044D+01 -0.663697D+01 -0.280353D+01  0.681316D+01  0.692223D+01
      3  -0.974137D+01 -0.232142D+02 -0.459494D+01  0.270633D+01  0.402661D+01
      4  -0.195862D+00  0.855287D+01  0.697837D+01  0.108696D+02  0.235895D+01
      5  -0.570477D+01 -0.189371D+02 -0.674278D-01  0.955142D+01  0.645846D+01
      6  -0.943969D+01 -0.182552D+02 -0.857555D+00  0.106691D+02  0.113564D+02
               331           332           333           334           335 
      1   0.113983D+02 -0.173733D+02 -0.347587D+02  0.177200D+03  0.291566D+01
      2  -0.154490D+01  0.742994D+01  0.153977D+01 -0.105738D+03 -0.145356D+01
      3  -0.985335D+01  0.994339D+01  0.332189D+02 -0.714618D+02 -0.146210D+01
      4   0.470358D+01  0.957246D+01 -0.166887D+02  0.127822D+02  0.146265D+02
      5  -0.120093D+01  0.111417D+02  0.282258D+02  0.763172D+02  0.964861D+00
      6  -0.571452D+01  0.149270D+02  0.238031D+02  0.220357D+01  0.351850D+01
               336           337           338           339           340 
      1   0.428172D+02 -0.143064D+01  0.108414D+02 -0.405236D+01  0.194146D+02
      2  -0.305802D+02  0.186011D+01 -0.493154D+01  0.410125D+01 -0.161744D+02
      3  -0.122370D+02 -0.429474D+00 -0.590989D+01 -0.488896D-01 -0.324020D+01
      4   0.216983D+00  0.289628D+02  0.200705D+01  0.181076D+02  0.117789D+02
      5   0.390133D+02 -0.406571D+00  0.682707D+01 -0.756752D+00  0.297281D+02
      6   0.254098D+01  0.447674D+01  0.106702D+01  0.379654D+01  0.255895D+01
               341           342           343           344           345 
      1  -0.480838D+00  0.178437D+02  0.862080D+01 -0.549889D+01  0.189939D+02
      2   0.228686D+01 -0.149333D+02 -0.809349D+01 -0.112383D+00 -0.294208D+01
      3  -0.180603D+01 -0.291039D+01 -0.527306D+00  0.561128D+01 -0.160519D+02
      4   0.213170D+01 -0.310173D+01 -0.413458D+01 -0.598907D+01 -0.307137D+01
      5  -0.583620D+00  0.171171D+02  0.943557D+01  0.413441D+01 -0.121502D+02
      6   0.199147D+01  0.289431D+00 -0.106826D+01 -0.240843D+01  0.914989D+00
               346           347           348           349           350 
      1  -0.557393D+01 -0.983831D+01  0.669664D+01  0.963073D+01  0.636238D+01
      2   0.503749D+01  0.396273D+00  0.907310D+01 -0.752783D+01  0.625143D+01
      3   0.536436D+00  0.944204D+01 -0.157697D+02 -0.210290D+01 -0.126138D+02
      4  -0.148604D+00 -0.155345D+02  0.314612D+02 -0.819198D+01  0.142991D+02
      5  -0.615979D+01  0.163806D+02 -0.295683D+02  0.105294D+02 -0.213069D+02
      6   0.573143D+00 -0.709037D+01  0.892493D+01 -0.123671D+01  0.732018D+01
               351           352           353           354           355 
      1  -0.203601D+02  0.462184D+02 -0.300847D+02 -0.595046D+01 -0.409136D+02
      2  -0.184210D+02 -0.195381D+02  0.137527D+02  0.322105D+01  0.172858D+02
      3   0.387811D+02 -0.266803D+02  0.163320D+02  0.272941D+01  0.236278D+02
      4  -0.289433D+02 -0.203914D+02  0.315277D+02  0.853303D+01  0.596455D+02
      5   0.556970D+02 -0.603536D+01  0.413632D+01  0.123549D+02  0.534286D+01
      6  -0.833125D+01  0.149621D+01 -0.778940D+00 -0.411228D+00 -0.169243D+01
               356           357           358           359           360 
      1   0.205767D+02 -0.141436D+01 -0.635899D+01  0.767668D+01  0.150020D+02
      2  -0.119261D+01  0.313544D+01  0.145317D+01 -0.358727D+01 -0.108008D+02
      3  -0.193841D+02 -0.172108D+01  0.490582D+01 -0.408942D+01 -0.420123D+01
      4  -0.533730D+02  0.154283D+02 -0.577868D+01 -0.104714D+02 -0.243853D+02
      5  -0.609748D+01 -0.496059D+01  0.205823D+02 -0.809011D+01 -0.602760D+01
      6   0.101805D+01  0.382327D+01 -0.233551D+01  0.462956D+01  0.685877D+00
               361           362           363           364           365 
      1  -0.488705D+02 -0.188704D+02 -0.163043D+02 -0.188815D+02 -0.117963D+02
      2   0.237095D+02  0.109827D+02 -0.285852D+01  0.103095D+02  0.412503D+01
      3   0.251610D+02  0.788768D+01  0.191628D+02  0.857196D+01  0.767123D+01
      4  -0.137926D+02 -0.839159D+01  0.928528D+01 -0.531422D+01 -0.631453D+01
      5   0.219674D+02  0.111341D+02 -0.105430D+02  0.115627D+02 -0.169547D+01
      6   0.723433D+01  0.535001D+01  0.635249D+00  0.314250D+01  0.354189D+01
               366           367           368           369           370 
      1  -0.422393D+01 -0.540200D+01 -0.941838D-01 -0.116787D+02 -0.208631D+01
      2  -0.124052D+01 -0.287658D+01 -0.290251D+01  0.472634D+01 -0.162496D+01
      3   0.546445D+01  0.827858D+01  0.299669D+01  0.695236D+01  0.371127D+01
      4   0.115857D+02  0.104805D+02 -0.212221D+01 -0.567406D+01  0.786982D+01
      5  -0.526982D+01 -0.647119D+01 -0.432158D+01  0.535643D+01 -0.966991D+01
      6   0.589309D+01  0.285042D+00  0.328031D+01  0.104479D+01 -0.339215D+01
               371           372           373           374           375 
      1   0.394848D+01 -0.998759D+01  0.146584D+01 -0.132221D+02  0.188636D+02
      2  -0.134070D+01  0.678779D+01 -0.387208D+01  0.294179D+01  0.662512D+01
      3  -0.260779D+01  0.319979D+01  0.240624D+01  0.102803D+02 -0.254887D+02
      4   0.494004D+01  0.216214D+01  0.153915D+02  0.296631D+02 -0.278496D+02
      5  -0.139588D+01  0.117197D+02 -0.132076D+02 -0.277268D+02  0.412792D+02
      6  -0.144561D+01  0.359512D+00 -0.876557D+01 -0.267982D+02  0.290311D+02
               376           377           378           379           380 
      1  -0.405166D+01  0.122351D+02 -0.179941D+02  0.336493D+02 -0.171222D+02
      2   0.820255D+01  0.340686D+01 -0.143738D+02 -0.288921D+02  0.143774D+02
      3  -0.415089D+01 -0.156420D+02  0.323679D+02 -0.475722D+01  0.274473D+01
      4  -0.620882D+01 -0.180133D+02  0.214732D+02 -0.210011D+02  0.181956D+02
      5   0.185678D+02  0.224885D+02 -0.453183D+02 -0.420170D+02  0.217362D+02
      6   0.536873D+01  0.203982D+02 -0.257126D+02  0.103234D+02 -0.886576D+01
               381           382           383           384           385 
      1  -0.193399D+02 -0.234205D+02  0.107977D+02  0.946842D+01 -0.916101D+01
      2   0.251902D+02  0.210903D+02 -0.134056D+02 -0.176689D+02  0.166491D+02
      3  -0.585026D+01  0.233019D+01  0.260795D+01  0.820049D+01 -0.748806D+01
      4   0.272955D+02  0.239205D+02 -0.272769D+02 -0.141484D+02  0.105922D+02
      5   0.417191D+02  0.341139D+02 -0.300058D+02 -0.347199D+02  0.314572D+02
      6  -0.681612D+01 -0.131073D+02  0.141743D+02  0.160423D+02 -0.615413D+01
               386           387           388           389           390 
      1   0.467406D+01  0.732969D+01  0.453913D+02  0.977016D+01  0.225889D+02
      2  -0.903461D+01 -0.201004D+02 -0.193643D+02 -0.990581D+00 -0.696325D+01
      3   0.436055D+01  0.127708D+02 -0.260270D+02 -0.877958D+01 -0.156256D+02
      4  -0.133887D+02 -0.404371D+01  0.136211D+02  0.143363D+02  0.211490D+02
      5  -0.160172D+02 -0.378280D+02  0.204551D+02  0.101648D+02  0.190934D+02
      6   0.100012D+02  0.792172D+01  0.601516D+01  0.215870D+01  0.388646D+01
               391           392           393           394           395 
      1   0.991848D+01  0.137771D+02  0.117184D+02  0.521906D+02  0.179961D+02
      2   0.126132D+01 -0.126356D+01 -0.202165D+01 -0.196925D+02 -0.343753D+01
      3  -0.111798D+02 -0.125136D+02 -0.969676D+01 -0.324982D+02 -0.145586D+02
      4   0.219310D+02  0.199906D+02  0.864513D+01  0.292455D+02  0.176845D+02
      5   0.115373D+02  0.655697D+01  0.147858D+02  0.232448D+02  0.148574D+02
      6   0.111347D+01  0.141236D+01  0.636869D+01  0.521464D+01  0.525082D+01
               396           397           398           399           400 
      1   0.228905D+02  0.112414D+03 -0.308109D+02 -0.270442D+02 -0.102329D+03
      2  -0.561792D+01 -0.680898D+02  0.195656D+02  0.172013D+02  0.623837D+02
      3  -0.172726D+02 -0.443237D+02  0.112453D+02  0.984288D+01  0.399449D+02
      4   0.174732D+02 -0.183348D+02  0.164199D+02 -0.243044D+02  0.292862D+02
      5   0.481930D+02 -0.429569D+02  0.123082D+02  0.266756D+02  0.418567D+02
      6   0.112175D+02  0.372602D+01 -0.204588D+01  0.860783D+00 -0.408590D+01
               401           402           403           404           405 
      1   0.289865D+02  0.275947D+02 -0.441725D+02  0.109499D+02  0.283909D+02
      2  -0.189456D+02 -0.208134D+02  0.313926D+02 -0.944445D+01 -0.204046D+02
      3  -0.100409D+02 -0.678127D+01  0.127799D+02 -0.150543D+01 -0.798639D+01
      4  -0.242320D+02 -0.172406D+02  0.322058D+01 -0.124583D+02  0.136381D+01
      5  -0.170686D+02 -0.209046D+02  0.433964D+02 -0.571594D+01 -0.251491D+02
      6   0.346086D+01  0.358756D+01  0.208692D+01  0.438080D+01 -0.495660D+00
               406           407           408           409           410 
      1   0.112411D+02  0.699427D+01 -0.130937D+02  0.211721D+02  0.846244D+01
      2  -0.430367D+01 -0.171980D+01  0.749611D+01 -0.447322D+01  0.968390D+01
      3  -0.693745D+01 -0.527447D+01  0.559757D+01 -0.166989D+02 -0.181463D+02
      4   0.170470D+02  0.121886D+02  0.488707D+00  0.466477D+02  0.641987D+02
      5  -0.137452D+02 -0.470104D+01  0.986222D+01 -0.241194D+02 -0.381559D+02
      6  -0.531870D+01 -0.247160D+01  0.217245D+01 -0.146891D+02 -0.253977D+02
               411           412           413           414           415 
      1  -0.349957D+00 -0.264368D+02 -0.171047D+01  0.899578D+01 -0.222221D+02
      2  -0.337493D+01  0.143841D+02 -0.247959D+01 -0.692506D+01  0.247411D+02
      3   0.372489D+01  0.120527D+02  0.419006D+01 -0.207073D+01 -0.251901D+01
      4  -0.414790D+02 -0.299418D+02 -0.392545D+02  0.345944D+02 -0.624362D+01
      5   0.343751D+02  0.352174D+02  0.344253D+02 -0.409189D+02  0.596818D+01
      6   0.200069D+02  0.137210D+02  0.203196D+02 -0.202596D+02  0.583279D+01
               416           417           418           419           420 
      1   0.340124D+02  0.794969D+01  0.168744D+02 -0.312536D+02 -0.143248D+02
      2  -0.369135D+02 -0.967795D+01 -0.172003D+02  0.420615D+02  0.168903D+02
      3   0.290110D+01  0.172826D+01  0.325916D+00 -0.108080D+02 -0.256545D+01
      4  -0.639544D-01  0.178493D+02 -0.257340D+01  0.989829D+01  0.241146D+02
      5  -0.704453D+01 -0.834240D+01 -0.406271D+01  0.916507D+01  0.374141D+01
      6  -0.557096D+01 -0.114064D+02 -0.396023D+01  0.803036D+01  0.701449D+01
               421           422           423           424           425 
      1   0.134468D+02 -0.233144D+02 -0.189734D+02  0.307440D+02  0.919707D+01
      2  -0.126896D+02  0.299550D+02  0.157639D+02  0.797328D+01  0.247112D+02
      3  -0.757251D+00 -0.664068D+01  0.320951D+01 -0.387173D+02 -0.339083D+02
      4   0.429459D+01  0.107407D+02  0.489376D+01  0.696730D+02  0.653965D+02
      5  -0.637232D+01  0.815282D+01  0.820178D+01 -0.125934D+02 -0.110755D+02
      6  -0.834669D+01  0.111367D+02  0.101465D+02 -0.770494D+01 -0.103392D+02
               426           427           428           429           430 
      1   0.226778D+00  0.628168D+01  0.125727D+00  0.170741D+01  0.272627D+01
      2  -0.388059D+01  0.181474D+02  0.344785D+02 -0.458234D+01 -0.210216D+01
      3   0.365381D+01 -0.244291D+02 -0.346043D+02  0.287493D+01 -0.624107D+00
      4  -0.103709D+02  0.547079D+02  0.636955D+02 -0.315811D+02 -0.645755D+01
      5   0.837761D+01 -0.819156D+01 -0.786093D+01  0.752658D+01  0.730805D+01
      6   0.724382D+01 -0.672241D+01 -0.866355D+01  0.772607D+01  0.592801D+01
               431           432           433           434           435 
      1  -0.155164D+01 -0.279651D+01 -0.107887D+02  0.125635D+02 -0.169862D+02
      2   0.287355D+01  0.488312D+01  0.680616D+01 -0.902913D+01  0.478070D+01
      3  -0.132191D+01 -0.208661D+01  0.398259D+01 -0.353437D+01  0.122055D+02
      4  -0.153690D+01  0.226570D+02  0.966586D+00  0.242331D+01  0.645759D+01
      5   0.892944D+01 -0.492726D+01 -0.250459D+01  0.140168D+01 -0.866757D+01
      6   0.948572D+01 -0.522113D+01 -0.671524D+01  0.479249D+01 -0.152230D+02
               436           437           438           439           440 
      1   0.105795D+01 -0.542020D+01  0.302262D+01 -0.958793D+01  0.180889D+02
      2  -0.483994D+00  0.325606D+01 -0.520537D+01  0.220020D+01 -0.154302D+02
      3  -0.573953D+00  0.216414D+01  0.218275D+01  0.738772D+01 -0.265870D+01
      4   0.238965D+01 -0.117350D+01 -0.358778D+01 -0.520290D+01 -0.114902D+02
      5  -0.121171D+01 -0.473578D+01  0.123664D+01 -0.172035D+01  0.114379D+02
      6   0.101425D+00 -0.502724D+01  0.658073D+01 -0.751380D+01  0.193581D+02
               441           442           443           444           445 
      1  -0.373305D+02 -0.229909D+01  0.392541D+01  0.100010D+02  0.146759D+01
      2   0.584773D+01 -0.145655D+01 -0.128557D+01 -0.673201D+01 -0.388374D+01
      3   0.314827D+02  0.375564D+01 -0.263984D+01 -0.326900D+01  0.241616D+01
      4   0.106207D+02  0.826197D+01  0.489091D+01 -0.214157D+01  0.149202D+02
      5  -0.359030D+02  0.951113D+01  0.134069D+01  0.116264D+02  0.131017D+02
      6  -0.418683D+02  0.330784D+01  0.140142D+01  0.275582D+00  0.870068D+01
               446           447           448           449           450 
      1  -0.133657D+02 -0.190025D+02  0.399170D+01 -0.123017D+02 -0.180369D+02
      2   0.305065D+01 -0.655521D+01 -0.811584D+01 -0.336798D+01 -0.142996D+02
      3   0.103151D+02  0.255577D+02  0.412414D+01  0.156697D+02  0.323365D+02
      4   0.296478D+02  0.279642D+02  0.637468D+01  0.179965D+02  0.213720D+02
      5   0.276815D+02  0.411986D+02  0.184967D+02  0.224231D+02  0.451324D+02
      6   0.268369D+02  0.290014D+02  0.532675D+01  0.203888D+02  0.256687D+02
               451           452           453           454           455 
      1  -0.491086D+02 -0.188475D+02  0.162192D+02 -0.192541D+02 -0.118772D+02
      2   0.240231D+02  0.109798D+02  0.289185D+01  0.107413D+02  0.417652D+01
      3   0.250855D+02  0.786774D+01 -0.191110D+02  0.851283D+01  0.770069D+01
      4  -0.124549D+02 -0.834864D+01 -0.903697D+01 -0.263978D+01 -0.624764D+01
      5  -0.220879D+02 -0.111238D+02 -0.105394D+02 -0.116272D+02  0.166180D+01
      6  -0.732749D+01 -0.536855D+01  0.655116D+00 -0.321211D+01 -0.356464D+01
               456           457           458           459           460 
      1   0.417053D+01  0.537851D+01  0.511343D-01 -0.116396D+02  0.333746D+02
      2   0.124459D+01  0.291002D+01  0.291490D+01  0.475651D+01 -0.286312D+02
      3  -0.541512D+01 -0.828854D+01 -0.296604D+01  0.688311D+01 -0.474342D+01
      4  -0.116728D+02 -0.102706D+02  0.215582D+01 -0.563439D+01 -0.190655D+02
      5  -0.530813D+01 -0.659387D+01 -0.436683D+01 -0.539481D+01  0.419755D+02
      6   0.596688D+01  0.326578D+00  0.327523D+01 -0.100831D+01 -0.103529D+02
               461           462           463           464           465 
      1  -0.170411D+02  0.193027D+02 -0.235874D+02  0.106999D+02 -0.936225D+01
      2   0.143631D+02 -0.252794D+02  0.213495D+02 -0.133479D+02  0.176105D+02
      3   0.267804D+01  0.597669D+01  0.223785D+01  0.264803D+01 -0.824825D+01
      4   0.182020D+02 -0.273676D+02  0.255994D+02 -0.271335D+02  0.139478D+02
      5  -0.217600D+02  0.418094D+02 -0.340255D+02  0.299427D+02 -0.347777D+02
      6   0.881519D+01 -0.675043D+01  0.130738D+02 -0.141637D+02  0.160887D+02
               466           467           468           469           470 
      1   0.938137D+01 -0.467630D+01  0.733873D+01  0.106969D+02  0.699640D+01
      2  -0.169770D+02  0.908498D+01 -0.202237D+02 -0.389690D+01 -0.172590D+01
      3   0.759563D+01 -0.440868D+01  0.128849D+02 -0.680001D+01 -0.527050D+01
      4  -0.121630D+02  0.133335D+02 -0.397983D+01  0.182210D+02  0.122458D+02
      5   0.315184D+02 -0.160633D+02  0.380576D+02  0.136839D+02  0.475209D+01
      6  -0.618152D+01  0.997861D+01 -0.796907D+01  0.528245D+01  0.249179D+01
               471           472           473           474           475 
      1   0.129682D+02  0.212206D+02  0.838593D+01  0.358544D+00  0.261009D+02
      2  -0.737094D+01 -0.461195D+01  0.966471D+01  0.337121D+01 -0.142318D+02
      3  -0.559725D+01 -0.166086D+02 -0.180506D+02 -0.372975D+01 -0.118690D+02
      4   0.393337D+00  0.459645D+02  0.640854D+02  0.415902D+02  0.299592D+02
      5   0.987954D+01  0.241937D+02  0.381722D+02  0.344524D+02  0.351936D+02
      6   0.220473D+01  0.146588D+02  0.254169D+02  0.200266D+02  0.136689D+02
               476           477           478           479           480 
      1   0.165825D+01  0.898081D+01  0.112425D+03 -0.308891D+02  0.270399D+02
      2   0.250818D+01 -0.696649D+01 -0.685012D+02  0.196186D+02 -0.172357D+02
      3  -0.416644D+01 -0.201432D+01 -0.439237D+02  0.112705D+02 -0.980416D+01
      4   0.392304D+02  0.347590D+02 -0.231177D+02  0.163233D+02  0.240529D+02
      5   0.344077D+02  0.409564D+02  0.428503D+02 -0.124286D+02  0.267899D+02
      6   0.203156D+02  0.202448D+02 -0.375930D+01  0.200172D+01  0.713933D+00
               481           482           483           484           485 
      1  -0.102340D+03  0.290315D+02 -0.275831D+02  0.441974D+02 -0.109704D+02
      2   0.623675D+02 -0.189747D+02  0.208214D+02 -0.314763D+02  0.945510D+01
      3   0.399723D+02 -0.100568D+02  0.676168D+01 -0.127210D+02  0.151534D+01
      4   0.289272D+02 -0.243150D+02  0.172149D+02 -0.380994D+01  0.125098D+02
      5  -0.419868D+02  0.170880D+02 -0.209790D+02  0.432777D+02 -0.574762D+01
      6   0.413816D+01 -0.349429D+01  0.359802D+01  0.202600D+01  0.440880D+01
               486           487           488           489           490 
      1   0.283678D+02  0.455420D+02  0.973724D+01 -0.225715D+02  0.100200D+02
      2  -0.203672D+02 -0.193845D+02 -0.949110D+00  0.694725D+01  0.120887D+01
      3  -0.800058D+01 -0.261575D+02 -0.878813D+01  0.156242D+02 -0.112288D+02
      4   0.127678D+01  0.147305D+02  0.144012D+02 -0.213999D+02  0.217346D+02
      5   0.253067D+02 -0.204709D+02 -0.101697D+02  0.192727D+02 -0.115977D+02
      6   0.468650D+00 -0.603859D+01 -0.215206D+01  0.392365D+01 -0.115760D+01
               491           492           493           494           495 
      1   0.137206D+02 -0.118235D+02 -0.522443D+02 -0.180569D+02  0.229636D+02
      2  -0.125143D+01  0.212178D+01  0.197319D+02  0.350048D+01 -0.571020D+01
      3  -0.124691D+02  0.970175D+01  0.325124D+02  0.145564D+02 -0.172534D+02
      4   0.199271D+02 -0.869366D+01 -0.290776D+02 -0.176399D+02  0.172619D+02
      5  -0.650847D+01  0.147609D+02  0.232927D+02  0.147970D+02 -0.481417D+02
      6  -0.136706D+01  0.634946D+01  0.524914D+01  0.520935D+01 -0.112000D+02
               496           497           498           499           500 
      1   0.177619D+03  0.284394D+01 -0.428501D+02 -0.223388D+01  0.108560D+02
      2  -0.105916D+03 -0.145344D+01  0.305246D+02  0.248572D+01 -0.490339D+01
      3  -0.717033D+02 -0.139050D+01  0.123255D+02 -0.251839D+00 -0.595258D+01
      4   0.128421D+02  0.146270D+02 -0.299832D+00  0.308590D+02  0.210255D+01
      5  -0.762986D+02 -0.924717D+00  0.388471D+02  0.384986D+00 -0.677550D+01
      6  -0.216387D+01 -0.344548D+01  0.243967D+01 -0.456928D+01 -0.110394D+01
               501           502           503           504           505 
      1   0.405869D+01 -0.191230D+02  0.562437D+00  0.178821D+02  0.891981D+01
      2  -0.406723D+01  0.159552D+02 -0.235013D+01 -0.149720D+02 -0.837488D+01
      3   0.853474D-02  0.316777D+01  0.178770D+01 -0.291016D+01 -0.544930D+00
      4  -0.178707D+02 -0.111213D+02 -0.212391D+01 -0.346120D+01 -0.575819D+01
      5  -0.760187D+00  0.296931D+02 -0.673479D+00 -0.170079D+02 -0.946792D+01
      6   0.388450D+01  0.257726D+01  0.197741D+01 -0.233195D+00  0.112247D+01
               506           507           508           509           510 
      1  -0.559518D+01 -0.189187D+02 -0.575189D+01 -0.977503D+01 -0.658674D+01
      2  -0.509639D-01  0.297414D+01  0.530266D+01  0.358469D+00 -0.918398D+01
      3   0.564614D+01  0.159446D+02  0.449229D+00  0.941656D+01  0.157707D+02
      4  -0.605221D+01  0.319662D+01  0.182541D+01 -0.154888D+02 -0.316088D+02
      5  -0.409178D+01 -0.120943D+02  0.627559D+01 -0.164273D+02 -0.296691D+02
      6   0.240722D+01  0.901474D+00 -0.560402D+00  0.705625D+01  0.896252D+01
               511           512           513           514           515 
      1  -0.979033D+01 -0.621088D+01 -0.203357D+02 -0.208779D+02  0.193298D+02
      2   0.771336D+01 -0.637445D+01 -0.184532D+02  0.101304D+02 -0.956362D+01
      3   0.207697D+01  0.125853D+02  0.387889D+02  0.107475D+02 -0.976619D+01
      4   0.906106D+01 -0.142576D+02 -0.288052D+02  0.359268D+01 -0.129351D+00
      5   0.106234D+02 -0.213422D+02 -0.558334D+02 -0.604875D+01  0.569915D+01
      6  -0.127640D+01  0.731685D+01  0.836924D+01 -0.916993D+01  0.941786D+01
               516           517           518           519           520 
      1  -0.297998D+02  0.746139D+01 -0.952617D+01  0.109233D+02 -0.116301D+02
      2   0.660611D+01 -0.293553D+01  0.678201D+01 -0.688238D+01  0.198336D+01
      3   0.231937D+02 -0.452586D+01  0.274416D+01 -0.404096D+01  0.964673D+01
      4  -0.862563D+01  0.587007D+01  0.108560D+02 -0.222244D+01 -0.101580D+01
      5  -0.190338D+02  0.102915D+00 -0.957089D+01  0.657028D+01 -0.137139D+01
      6  -0.181930D+02  0.915801D+00 -0.106565D+02  0.113592D+02 -0.574939D+01
               521           522           523           524           525 
      1   0.173733D+02 -0.347177D+02  0.460294D+02  0.269956D+02 -0.966888D+01
      2  -0.740648D+01  0.147515D+01 -0.152643D+02 -0.104489D+01  0.424140D+01
      3  -0.996683D+01  0.332426D+02 -0.307652D+02 -0.259507D+02  0.542748D+01
      4  -0.945964D+01 -0.170266D+02  0.550012D+02  0.552748D+02 -0.119706D+02
      5   0.111786D+02 -0.283911D+02 -0.248528D+02 -0.179547D+02  0.174106D+02
      6   0.149404D+02 -0.237443D+02 -0.155124D+02 -0.148217D+02  0.799107D+01
               526           527           528           529           530 
      1   0.262887D+02  0.192626D+02 -0.302313D+01 -0.141974D+00  0.248477D+01
      2   0.270684D+01  0.133807D+02 -0.848335D+00  0.269830D+01  0.406346D+00
      3  -0.289955D+02 -0.326433D+02  0.387147D+01 -0.255633D+01 -0.289112D+01
      4   0.764731D+02  0.790071D+02 -0.167510D+02  0.131075D+02 -0.665281D+01
      5  -0.258252D+02 -0.277752D+02  0.164745D+02  0.768574D+01  0.117425D+02
      6  -0.204988D+02 -0.246587D+02  0.138028D+02  0.384836D+01  0.919885D+01
               531           532           533           534           535 
      1   0.580505D+01  0.457803D+02 -0.300002D+02  0.593416D+01 -0.415329D+02
      2  -0.397830D+01 -0.192784D+02  0.137371D+02 -0.320244D+01  0.178275D+02
      3  -0.182675D+01 -0.265020D+02  0.162632D+02 -0.273172D+01  0.237053D+02
      4  -0.181180D+02 -0.198180D+02  0.315944D+02 -0.831149D+01  0.627746D+02
      5  -0.883224D+01  0.594146D+01 -0.414317D+01  0.123553D+02 -0.542514D+01
      6  -0.629430D+01 -0.168558D+01  0.765674D+00 -0.414602D+00  0.156721D+01
               536           537           538           539           540 
      1   0.204607D+02  0.141122D+01  0.576379D+01 -0.777045D+01  0.149857D+02
      2  -0.111192D+01 -0.308596D+01 -0.829309D+00  0.364951D+01 -0.107737D+02
      3  -0.193488D+02  0.167474D+01 -0.493448D+01  0.412094D+01 -0.421198D+01
      4  -0.532581D+02 -0.151650D+02  0.834766D+01  0.107066D+02 -0.244052D+02
      5   0.613574D+01 -0.504133D+01  0.205209D+02 -0.809460D+01  0.600735D+01
      6  -0.102485D+01  0.391560D+01 -0.249093D+01  0.463539D+01 -0.638888D+00
               541           542           543           544           545 
      1   0.308932D+02  0.923252D+01 -0.169107D+00  0.669681D+01  0.153040D+00
      2   0.783736D+01  0.246783D+02  0.384575D+01  0.175841D+02  0.344241D+02
      3  -0.387306D+02 -0.339108D+02 -0.367665D+01 -0.242809D+02 -0.345771D+02
      4   0.694525D+02  0.653663D+02  0.101070D+02  0.507347D+02  0.635535D+02
      5   0.125745D+02  0.110427D+02  0.838068D+01  0.810114D+01  0.787389D+01
      6   0.765781D+01  0.103389D+02  0.724100D+01  0.666976D+01  0.864897D+01
               546           547           548           549           550 
      1  -0.174687D+01 -0.243376D+01  0.153966D+01 -0.282162D+01 -0.225156D+02
      2   0.460060D+01  0.177370D+01 -0.284854D+01  0.489232D+01  0.250927D+02
      3  -0.285372D+01  0.660063D+00  0.130888D+01 -0.207071D+01 -0.257716D+01
      4   0.314468D+02  0.416922D+01  0.149044D+01  0.223943D+02 -0.356306D+01
      5   0.752618D+01  0.725591D+01  0.893948D+01  0.495237D+01 -0.597876D+01
      6   0.760974D+01  0.588535D+01  0.951229D+01  0.518557D+01 -0.585216D+01
               551           552           553           554           555 
      1   0.339643D+02 -0.795613D+01  0.163691D+02 -0.312891D+02  0.143567D+02
      2  -0.368704D+02  0.967125D+01 -0.166390D+02  0.421395D+02 -0.169260D+02
      3   0.290603D+01 -0.171512D+01  0.269982D+00 -0.108503D+02  0.256930D+01
      4   0.276949D-01 -0.180785D+02  0.870309D+00  0.100635D+02 -0.240079D+02
      5   0.704588D+01 -0.835474D+01  0.409389D+01 -0.917098D+01  0.375993D+01
      6   0.560855D+01 -0.113251D+02  0.403163D+01 -0.807436D+01  0.713089D+01
               556           557           558           559           560 
      1  -0.133345D+02  0.233770D+02 -0.190209D+02 -0.110971D+02  0.125685D+02
      2   0.125549D+02 -0.300268D+02  0.158126D+02  0.710589D+01 -0.903813D+01
      3   0.779554D+00  0.664976D+01  0.320835D+01  0.399119D+01 -0.353040D+01
      4  -0.515233D+01 -0.108253D+02  0.478015D+01  0.259720D+01  0.245575D+01
      5  -0.634680D+01  0.820450D+01 -0.825837D+01  0.253022D+01 -0.142331D+01
      6  -0.835257D+01  0.112034D+02 -0.102461D+02  0.675081D+01 -0.482905D+01
               561           562           563           564           565 
      1   0.169641D+02  0.992520D+00 -0.541593D+01 -0.301192D+01  0.980239D+01
      2  -0.475013D+01 -0.460504D+00  0.323661D+01  0.517983D+01 -0.241594D+01
      3  -0.122140D+02 -0.532016D+00  0.217931D+01 -0.216792D+01 -0.738645D+01
      4  -0.610641D+01  0.253776D+01 -0.115269D+01  0.342021D+01  0.373581D+01
      5  -0.870551D+01  0.118670D+01  0.474854D+01  0.127517D+01 -0.181747D+01
      6  -0.152148D+02 -0.102879D+00  0.505033D+01  0.663368D+01 -0.757905D+01
               566           567 
      1  -0.180669D+02 -0.372626D+02
      2   0.154215D+02  0.586781D+01
      3   0.264536D+01  0.313948D+02
      4   0.114220D+02  0.103413D+02
      5   0.114344D+02  0.358318D+02
      6   0.193389D+02  0.417451D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Aug 28 18:27:25 2021, MaxMem= 16106127360 cpu:         1428081.5 elap:          179494.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 Beta  Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 2-A.
 Alpha  occ. eigenvalues -- -323.09569 -38.91515 -34.12363 -34.12275 -34.10112
 Alpha  occ. eigenvalues --  -24.74958 -24.74957 -24.74884 -24.74883 -24.74775
 Alpha  occ. eigenvalues --  -24.74773 -19.17699 -19.17698 -19.16819 -19.16818
 Alpha  occ. eigenvalues --  -10.44350 -10.44349 -10.28850 -10.28850 -10.27972
 Alpha  occ. eigenvalues --  -10.27971 -10.20824 -10.20822 -10.20765 -10.20764
 Alpha  occ. eigenvalues --  -10.20090 -10.20089 -10.19390 -10.19390 -10.19071
 Alpha  occ. eigenvalues --  -10.19070 -10.18736 -10.18736 -10.18205 -10.18204
 Alpha  occ. eigenvalues --  -10.18043 -10.18041 -10.17896 -10.17896  -4.41716
 Alpha  occ. eigenvalues --   -2.92474  -2.92380  -2.87920  -1.32882  -1.32881
 Alpha  occ. eigenvalues --   -1.24141  -1.24140  -1.23903  -1.23902  -1.07871
 Alpha  occ. eigenvalues --   -1.07456  -1.06014  -1.05894  -0.90754  -0.90710
 Alpha  occ. eigenvalues --   -0.80286  -0.80181  -0.77835  -0.77832  -0.76416
 Alpha  occ. eigenvalues --   -0.76308  -0.74671  -0.74639  -0.69676  -0.69662
 Alpha  occ. eigenvalues --   -0.68476  -0.68463  -0.67810  -0.67783  -0.63746
 Alpha  occ. eigenvalues --   -0.63718  -0.61320  -0.60879  -0.60519  -0.60519
 Alpha  occ. eigenvalues --   -0.59875  -0.59718  -0.57155  -0.57118  -0.55334
 Alpha  occ. eigenvalues --   -0.53410  -0.53341  -0.52682  -0.52677  -0.51049
 Alpha  occ. eigenvalues --   -0.49170  -0.49144  -0.48530  -0.48448  -0.48213
 Alpha  occ. eigenvalues --   -0.48199  -0.47733  -0.47732  -0.47063  -0.46774
 Alpha  occ. eigenvalues --   -0.46258  -0.46197  -0.44814  -0.44717  -0.44291
 Alpha  occ. eigenvalues --   -0.44111  -0.43210  -0.42880  -0.42802  -0.42773
 Alpha  occ. eigenvalues --   -0.42280  -0.42106  -0.42057  -0.41984  -0.41766
 Alpha  occ. eigenvalues --   -0.41236  -0.40851  -0.40809  -0.40424  -0.40124
 Alpha  occ. eigenvalues --   -0.39999  -0.39751  -0.39336  -0.39278  -0.39052
 Alpha  occ. eigenvalues --   -0.38987  -0.38593  -0.37611  -0.36904  -0.36719
 Alpha  occ. eigenvalues --   -0.36216  -0.35833  -0.35645  -0.35636  -0.35571
 Alpha  occ. eigenvalues --   -0.35051  -0.34782  -0.34299  -0.34231  -0.33243
 Alpha  occ. eigenvalues --   -0.33172  -0.31764  -0.31521  -0.31079  -0.30972
 Alpha  occ. eigenvalues --   -0.28455  -0.25282  -0.24738  -0.23823
 Alpha virt. eigenvalues --   -0.07403  -0.07070  -0.01827  -0.01279  -0.00446
 Alpha virt. eigenvalues --   -0.00392   0.00085   0.00296   0.00544   0.01203
 Alpha virt. eigenvalues --    0.01358   0.01916   0.02159   0.02296   0.02336
 Alpha virt. eigenvalues --    0.02592   0.02605   0.02787   0.02932   0.03780
 Alpha virt. eigenvalues --    0.04233   0.04399   0.04579   0.04733   0.05042
 Alpha virt. eigenvalues --    0.05117   0.05251   0.05277   0.05574   0.05748
 Alpha virt. eigenvalues --    0.05836   0.06328   0.06366   0.06379   0.06799
 Alpha virt. eigenvalues --    0.06831   0.07129   0.07313   0.07610   0.07975
 Alpha virt. eigenvalues --    0.08136   0.08305   0.08561   0.08697   0.08895
 Alpha virt. eigenvalues --    0.09066   0.09140   0.09409   0.09462   0.09594
 Alpha virt. eigenvalues --    0.09671   0.09685   0.09797   0.09869   0.09998
 Alpha virt. eigenvalues --    0.10088   0.10353   0.10477   0.10788   0.10887
 Alpha virt. eigenvalues --    0.11047   0.11309   0.11348   0.11401   0.11568
 Alpha virt. eigenvalues --    0.11924   0.12030   0.12350   0.12550   0.12576
 Alpha virt. eigenvalues --    0.12658   0.12888   0.13033   0.13196   0.13217
 Alpha virt. eigenvalues --    0.13471   0.13510   0.13518   0.14127   0.14251
 Alpha virt. eigenvalues --    0.14388   0.14552   0.14688   0.14807   0.14820
 Alpha virt. eigenvalues --    0.15274   0.15283   0.15346   0.15553   0.15891
 Alpha virt. eigenvalues --    0.15930   0.15935   0.16188   0.16326   0.16509
 Alpha virt. eigenvalues --    0.16706   0.17131   0.17160   0.17309   0.17518
 Alpha virt. eigenvalues --    0.17561   0.17999   0.18038   0.18383   0.18572
 Alpha virt. eigenvalues --    0.18578   0.18644   0.18770   0.18784   0.18948
 Alpha virt. eigenvalues --    0.19386   0.19408   0.19549   0.19592   0.19989
 Alpha virt. eigenvalues --    0.20037   0.20346   0.20468   0.20810   0.20932
 Alpha virt. eigenvalues --    0.21022   0.21107   0.21518   0.21625   0.21629
 Alpha virt. eigenvalues --    0.21858   0.22132   0.22461   0.22540   0.22557
 Alpha virt. eigenvalues --    0.22934   0.23128   0.23441   0.23507   0.23735
 Alpha virt. eigenvalues --    0.23882   0.24027   0.24114   0.24331   0.24547
 Alpha virt. eigenvalues --    0.24559   0.24564   0.25096   0.25457   0.25527
 Alpha virt. eigenvalues --    0.25725   0.25852   0.25920   0.26446   0.26549
 Alpha virt. eigenvalues --    0.26873   0.26960   0.27072   0.27199   0.27237
 Alpha virt. eigenvalues --    0.27357   0.27744   0.27940   0.27944   0.28496
 Alpha virt. eigenvalues --    0.28586   0.28847   0.29038   0.29155   0.29301
 Alpha virt. eigenvalues --    0.29398   0.29423   0.29727   0.29801   0.29894
 Alpha virt. eigenvalues --    0.30026   0.30238   0.30420   0.30607   0.30821
 Alpha virt. eigenvalues --    0.30881   0.31104   0.31546   0.31744   0.31820
 Alpha virt. eigenvalues --    0.32267   0.32322   0.32452   0.32640   0.32723
 Alpha virt. eigenvalues --    0.33094   0.33396   0.33502   0.33656   0.33958
 Alpha virt. eigenvalues --    0.33982   0.34079   0.34142   0.34546   0.34794
 Alpha virt. eigenvalues --    0.34930   0.35036   0.35189   0.35471   0.35627
 Alpha virt. eigenvalues --    0.35818   0.36123   0.36341   0.36585   0.36627
 Alpha virt. eigenvalues --    0.36803   0.36977   0.37082   0.37359   0.37429
 Alpha virt. eigenvalues --    0.37604   0.37886   0.38110   0.38136   0.38349
 Alpha virt. eigenvalues --    0.38622   0.39001   0.39052   0.39428   0.39484
 Alpha virt. eigenvalues --    0.39788   0.40026   0.40209   0.40326   0.40466
 Alpha virt. eigenvalues --    0.40587   0.40729   0.40922   0.40968   0.41313
 Alpha virt. eigenvalues --    0.41563   0.41646   0.41914   0.42241   0.42337
 Alpha virt. eigenvalues --    0.42461   0.42747   0.43096   0.43556   0.43592
 Alpha virt. eigenvalues --    0.43678   0.44034   0.44449   0.44516   0.44868
 Alpha virt. eigenvalues --    0.45080   0.45447   0.46074   0.46106   0.46470
 Alpha virt. eigenvalues --    0.46505   0.46739   0.47120   0.47193   0.47224
 Alpha virt. eigenvalues --    0.47642   0.48186   0.48393   0.49017   0.49219
 Alpha virt. eigenvalues --    0.49276   0.49310   0.49612   0.50142   0.50253
 Alpha virt. eigenvalues --    0.50629   0.50989   0.51269   0.51516   0.51680
 Alpha virt. eigenvalues --    0.51883   0.52139   0.52297   0.52470   0.52651
 Alpha virt. eigenvalues --    0.52680   0.53217   0.53683   0.53769   0.54066
 Alpha virt. eigenvalues --    0.54157   0.54307   0.54530   0.54747   0.55012
 Alpha virt. eigenvalues --    0.55535   0.55634   0.56169   0.56306   0.56414
 Alpha virt. eigenvalues --    0.56774   0.56876   0.57003   0.57188   0.57344
 Alpha virt. eigenvalues --    0.57530   0.57619   0.57831   0.58214   0.58443
 Alpha virt. eigenvalues --    0.58545   0.58604   0.59063   0.59074   0.59493
 Alpha virt. eigenvalues --    0.59715   0.59980   0.60125   0.60381   0.60586
 Alpha virt. eigenvalues --    0.60732   0.61407   0.61412   0.61565   0.61838
 Alpha virt. eigenvalues --    0.62125   0.62382   0.62554   0.62727   0.62754
 Alpha virt. eigenvalues --    0.63043   0.63198   0.63291   0.63513   0.63882
 Alpha virt. eigenvalues --    0.64135   0.64228   0.64752   0.64885   0.65108
 Alpha virt. eigenvalues --    0.65232   0.65847   0.65960   0.65972   0.66376
 Alpha virt. eigenvalues --    0.66400   0.66758   0.67024   0.67193   0.67281
 Alpha virt. eigenvalues --    0.67616   0.67846   0.68424   0.69141   0.69209
 Alpha virt. eigenvalues --    0.69353   0.69512   0.69867   0.69991   0.70035
 Alpha virt. eigenvalues --    0.70232   0.70348   0.70576   0.70784   0.71233
 Alpha virt. eigenvalues --    0.71419   0.71610   0.71718   0.72205   0.72261
 Alpha virt. eigenvalues --    0.72577   0.73217   0.73389   0.73481   0.73769
 Alpha virt. eigenvalues --    0.74072   0.74301   0.74693   0.74764   0.75222
 Alpha virt. eigenvalues --    0.75350   0.75683   0.76267   0.76314   0.76508
 Alpha virt. eigenvalues --    0.76682   0.76861   0.77092   0.77229   0.77435
 Alpha virt. eigenvalues --    0.77533   0.78111   0.78149   0.78764   0.78818
 Alpha virt. eigenvalues --    0.78868   0.79150   0.79354   0.79718   0.80170
 Alpha virt. eigenvalues --    0.80439   0.80454   0.80898   0.80911   0.81358
 Alpha virt. eigenvalues --    0.81570   0.81885   0.82209   0.82363   0.82760
 Alpha virt. eigenvalues --    0.83207   0.83231   0.83496   0.83552   0.83987
 Alpha virt. eigenvalues --    0.84404   0.84412   0.85268   0.85860   0.85863
 Alpha virt. eigenvalues --    0.85956   0.86015   0.86585   0.86811   0.87328
 Alpha virt. eigenvalues --    0.87606   0.87975   0.88246   0.88598   0.88626
 Alpha virt. eigenvalues --    0.88968   0.89667   0.90018   0.90168   0.91392
 Alpha virt. eigenvalues --    0.91567   0.91861   0.92075   0.92507   0.92518
 Alpha virt. eigenvalues --    0.92914   0.93802   0.93893   0.94485   0.94786
 Alpha virt. eigenvalues --    0.94992   0.95542   0.95922   0.96069   0.97155
 Alpha virt. eigenvalues --    0.97556   0.98186   0.98638   0.98766   0.99471
 Alpha virt. eigenvalues --    0.99871   0.99883   1.00212   1.00365   1.01143
 Alpha virt. eigenvalues --    1.01238   1.01960   1.02679   1.02939   1.02989
 Alpha virt. eigenvalues --    1.04267   1.04405   1.04980   1.05214   1.05626
 Alpha virt. eigenvalues --    1.06004   1.06094   1.06390   1.06679   1.07732
 Alpha virt. eigenvalues --    1.08360   1.08700   1.08788   1.09946   1.10009
 Alpha virt. eigenvalues --    1.10305   1.10758   1.11274   1.11350   1.11568
 Alpha virt. eigenvalues --    1.11723   1.12116   1.13383   1.13442   1.14093
 Alpha virt. eigenvalues --    1.14521   1.14543   1.15849   1.16155   1.16840
 Alpha virt. eigenvalues --    1.16887   1.17141   1.17634   1.17918   1.18265
 Alpha virt. eigenvalues --    1.18850   1.19019   1.19384   1.19979   1.20045
 Alpha virt. eigenvalues --    1.20780   1.21053   1.21390   1.21419   1.22030
 Alpha virt. eigenvalues --    1.22596   1.23000   1.23027   1.23511   1.24462
 Alpha virt. eigenvalues --    1.24820   1.25261   1.25332   1.25769   1.26405
 Alpha virt. eigenvalues --    1.26960   1.27877   1.28220   1.28610   1.28911
 Alpha virt. eigenvalues --    1.29253   1.29317   1.29904   1.30123   1.30989
 Alpha virt. eigenvalues --    1.31067   1.31708   1.32470   1.32516   1.32715
 Alpha virt. eigenvalues --    1.33521   1.33730   1.33977   1.34370   1.35041
 Alpha virt. eigenvalues --    1.35760   1.36025   1.36395   1.36668   1.37324
 Alpha virt. eigenvalues --    1.37990   1.38498   1.38651   1.39854   1.40059
 Alpha virt. eigenvalues --    1.40636   1.41022   1.41184   1.42012   1.42314
 Alpha virt. eigenvalues --    1.43024   1.43301   1.44007   1.44246   1.45099
 Alpha virt. eigenvalues --    1.45331   1.45525   1.46379   1.46990   1.47091
 Alpha virt. eigenvalues --    1.47615   1.48063   1.48995   1.49103   1.49295
 Alpha virt. eigenvalues --    1.50007   1.50742   1.50830   1.51163   1.51236
 Alpha virt. eigenvalues --    1.52066   1.52281   1.52293   1.52986   1.53289
 Alpha virt. eigenvalues --    1.53479   1.53611   1.54326   1.54530   1.55651
 Alpha virt. eigenvalues --    1.56072   1.56326   1.56771   1.56930   1.57004
 Alpha virt. eigenvalues --    1.57125   1.57706   1.57963   1.58874   1.59107
 Alpha virt. eigenvalues --    1.59121   1.59984   1.60181   1.60388   1.60583
 Alpha virt. eigenvalues --    1.60919   1.61011   1.61258   1.61473   1.62018
 Alpha virt. eigenvalues --    1.62601   1.63419   1.63453   1.63870   1.64113
 Alpha virt. eigenvalues --    1.64317   1.64900   1.65375   1.65484   1.66234
 Alpha virt. eigenvalues --    1.66489   1.66902   1.67775   1.67853   1.68264
 Alpha virt. eigenvalues --    1.69043   1.69348   1.69870   1.70007   1.70707
 Alpha virt. eigenvalues --    1.70893   1.71131   1.72394   1.72507   1.72971
 Alpha virt. eigenvalues --    1.73128   1.73183   1.73561   1.73956   1.74035
 Alpha virt. eigenvalues --    1.74637   1.74733   1.75512   1.75527   1.75707
 Alpha virt. eigenvalues --    1.76015   1.76977   1.77087   1.77621   1.77873
 Alpha virt. eigenvalues --    1.78369   1.78446   1.78819   1.79251   1.80124
 Alpha virt. eigenvalues --    1.80302   1.80329   1.81302   1.81494   1.82398
 Alpha virt. eigenvalues --    1.82418   1.82460   1.83313   1.83338   1.83966
 Alpha virt. eigenvalues --    1.84243   1.84607   1.84680   1.85387   1.85715
 Alpha virt. eigenvalues --    1.85960   1.86332   1.86466   1.86627   1.87167
 Alpha virt. eigenvalues --    1.87377   1.88145   1.88776   1.89300   1.89777
 Alpha virt. eigenvalues --    1.90540   1.90588   1.91008   1.91433   1.91626
 Alpha virt. eigenvalues --    1.92439   1.92524   1.92706   1.93721   1.93788
 Alpha virt. eigenvalues --    1.93946   1.94489   1.95321   1.95659   1.96026
 Alpha virt. eigenvalues --    1.96354   1.96650   1.97437   1.97497   1.98526
 Alpha virt. eigenvalues --    1.99044   1.99593   1.99782   2.00665   2.01580
 Alpha virt. eigenvalues --    2.01921   2.02082   2.02503   2.02996   2.03411
 Alpha virt. eigenvalues --    2.03429   2.04337   2.04346   2.05163   2.05697
 Alpha virt. eigenvalues --    2.06256   2.06571   2.06906   2.07223   2.07464
 Alpha virt. eigenvalues --    2.08516   2.09225   2.09390   2.09965   2.10423
 Alpha virt. eigenvalues --    2.10876   2.11073   2.11132   2.12749   2.13292
 Alpha virt. eigenvalues --    2.13904   2.14981   2.15367   2.15493   2.15635
 Alpha virt. eigenvalues --    2.15956   2.16215   2.16612   2.16624   2.17177
 Alpha virt. eigenvalues --    2.17308   2.18383   2.18624   2.19232   2.19577
 Alpha virt. eigenvalues --    2.19806   2.20347   2.20513   2.21351   2.21372
 Alpha virt. eigenvalues --    2.22116   2.22919   2.24119   2.24209   2.24604
 Alpha virt. eigenvalues --    2.25262   2.25845   2.26112   2.26219   2.26697
 Alpha virt. eigenvalues --    2.28528   2.28790   2.28987   2.29732   2.29959
 Alpha virt. eigenvalues --    2.30431   2.32224   2.32495   2.32800   2.33462
 Alpha virt. eigenvalues --    2.33672   2.34172   2.34887   2.35115   2.35982
 Alpha virt. eigenvalues --    2.36235   2.36914   2.37168   2.37311   2.37855
 Alpha virt. eigenvalues --    2.38770   2.38797   2.39554   2.39682   2.40502
 Alpha virt. eigenvalues --    2.40540   2.41730   2.41812   2.42884   2.42920
 Alpha virt. eigenvalues --    2.44370   2.44851   2.45593   2.45885   2.46536
 Alpha virt. eigenvalues --    2.46599   2.46910   2.46978   2.48058   2.48989
 Alpha virt. eigenvalues --    2.49689   2.49960   2.50582   2.50742   2.51783
 Alpha virt. eigenvalues --    2.52321   2.53468   2.53739   2.54085   2.54514
 Alpha virt. eigenvalues --    2.54802   2.55608   2.56503   2.56839   2.57779
 Alpha virt. eigenvalues --    2.57859   2.58650   2.58997   2.59046   2.59352
 Alpha virt. eigenvalues --    2.59794   2.62376   2.62387   2.62656   2.63029
 Alpha virt. eigenvalues --    2.64134   2.64901   2.65459   2.66002   2.66912
 Alpha virt. eigenvalues --    2.66973   2.67619   2.67889   2.69961   2.70007
 Alpha virt. eigenvalues --    2.70987   2.71271   2.71904   2.72527   2.73893
 Alpha virt. eigenvalues --    2.74937   2.78063   2.78222   2.78560   2.79593
 Alpha virt. eigenvalues --    2.81392   2.81703   2.83149   2.83832   2.84457
 Alpha virt. eigenvalues --    2.86787   2.87109   2.88875   2.89872   2.91181
 Alpha virt. eigenvalues --    2.91724   2.91987   2.94812   2.95617   2.98010
 Alpha virt. eigenvalues --    2.98948   2.99918   3.01466   3.03367   3.08563
 Alpha virt. eigenvalues --    3.09482   3.10072   3.17246   3.17449   3.20071
 Alpha virt. eigenvalues --    3.20162   3.22813   3.23621   3.26012   3.26587
 Alpha virt. eigenvalues --    3.28773   3.30955   3.32140   3.34603   3.38309
 Alpha virt. eigenvalues --    3.40233   3.40548   3.41380   3.43259   3.44842
 Alpha virt. eigenvalues --    3.44966   3.46491   3.47944   3.49709   3.51413
 Alpha virt. eigenvalues --    3.51888   3.54062   3.54671   3.55284   3.59076
 Alpha virt. eigenvalues --    3.59231   3.61607   3.62636   3.64338   3.64432
 Alpha virt. eigenvalues --    3.67115   3.69298   3.72298   3.74018   3.76476
 Alpha virt. eigenvalues --    3.79328   3.87484   3.88454   3.94345   3.98710
 Alpha virt. eigenvalues --    4.01717   4.08988   4.11989   4.17602   4.26482
 Alpha virt. eigenvalues --    4.32644   4.32850   4.38742   4.40308   4.52431
 Alpha virt. eigenvalues --    4.52458   4.55476   4.55637   4.55770   4.56210
 Alpha virt. eigenvalues --    4.57027   4.57772   4.58266   4.58393   4.60875
 Alpha virt. eigenvalues --    4.60896   4.61925   4.62924   4.63562   4.64403
 Alpha virt. eigenvalues --    4.67555   4.67599   4.69405   4.70507   4.73325
 Alpha virt. eigenvalues --    4.74507   4.76142   4.76353   4.81550   4.82116
 Alpha virt. eigenvalues --    4.84268   4.84800   4.89410   4.89699   5.01222
 Alpha virt. eigenvalues --    5.01471   5.48079   5.50935   5.85651   6.05205
 Alpha virt. eigenvalues --    6.08223   6.11602   6.13398   6.54386   6.56280
  Beta  occ. eigenvalues -- -323.09532 -38.89413 -34.10064 -34.09980 -34.09521
  Beta  occ. eigenvalues --  -24.74953 -24.74952 -24.74881 -24.74880 -24.74775
  Beta  occ. eigenvalues --  -24.74774 -19.17418 -19.17416 -19.16556 -19.16556
  Beta  occ. eigenvalues --  -10.44318 -10.44318 -10.28860 -10.28860 -10.27988
  Beta  occ. eigenvalues --  -10.27986 -10.20796 -10.20795 -10.20764 -10.20762
  Beta  occ. eigenvalues --  -10.20091 -10.20090 -10.19391 -10.19391 -10.19060
  Beta  occ. eigenvalues --  -10.19060 -10.18736 -10.18736 -10.18204 -10.18203
  Beta  occ. eigenvalues --  -10.18043 -10.18042 -10.17896 -10.17896  -4.37572
  Beta  occ. eigenvalues --   -2.86606  -2.86542  -2.86529  -1.32872  -1.32871
  Beta  occ. eigenvalues --   -1.24137  -1.24136  -1.23893  -1.23892  -1.07390
  Beta  occ. eigenvalues --   -1.06970  -1.05518  -1.05378  -0.90704  -0.90660
  Beta  occ. eigenvalues --   -0.80207  -0.80107  -0.77820  -0.77816  -0.76369
  Beta  occ. eigenvalues --   -0.76261  -0.74592  -0.74546  -0.69665  -0.69653
  Beta  occ. eigenvalues --   -0.68447  -0.68438  -0.67779  -0.67761  -0.63641
  Beta  occ. eigenvalues --   -0.63627  -0.61205  -0.60822  -0.60504  -0.60504
  Beta  occ. eigenvalues --   -0.59723  -0.59620  -0.57102  -0.56991  -0.55003
  Beta  occ. eigenvalues --   -0.53207  -0.53027  -0.52393  -0.50725  -0.50693
  Beta  occ. eigenvalues --   -0.49129  -0.49128  -0.48454  -0.48406  -0.48194
  Beta  occ. eigenvalues --   -0.48180  -0.47707  -0.47701  -0.46774  -0.46232
  Beta  occ. eigenvalues --   -0.46130  -0.46009  -0.44757  -0.44687  -0.44210
  Beta  occ. eigenvalues --   -0.44086  -0.43009  -0.42822  -0.42698  -0.42546
  Beta  occ. eigenvalues --   -0.42148  -0.42073  -0.42026  -0.41903  -0.41287
  Beta  occ. eigenvalues --   -0.40973  -0.40724  -0.40637  -0.40300  -0.39860
  Beta  occ. eigenvalues --   -0.39714  -0.39687  -0.39212  -0.39012  -0.38858
  Beta  occ. eigenvalues --   -0.38447  -0.37955  -0.36040  -0.35737  -0.35643
  Beta  occ. eigenvalues --   -0.35612  -0.35406  -0.35298  -0.35016  -0.34551
  Beta  occ. eigenvalues --   -0.34401  -0.34070  -0.34034  -0.33310  -0.32890
  Beta  occ. eigenvalues --   -0.31715  -0.31080  -0.30989  -0.30847  -0.29872
  Beta  occ. eigenvalues --   -0.27567  -0.24748  -0.23618
  Beta virt. eigenvalues --   -0.11732  -0.07302  -0.06990  -0.01788  -0.01278
  Beta virt. eigenvalues --   -0.00426  -0.00362   0.00087   0.00297   0.00546
  Beta virt. eigenvalues --    0.01191   0.01361   0.01954   0.02161   0.02298
  Beta virt. eigenvalues --    0.02353   0.02600   0.02606   0.02771   0.02936
  Beta virt. eigenvalues --    0.03783   0.04249   0.04412   0.04586   0.04734
  Beta virt. eigenvalues --    0.05062   0.05120   0.05264   0.05311   0.05577
  Beta virt. eigenvalues --    0.05754   0.05839   0.06330   0.06378   0.06391
  Beta virt. eigenvalues --    0.06805   0.06855   0.07134   0.07319   0.07616
  Beta virt. eigenvalues --    0.07984   0.08140   0.08307   0.08565   0.08700
  Beta virt. eigenvalues --    0.08897   0.09067   0.09143   0.09421   0.09470
  Beta virt. eigenvalues --    0.09596   0.09677   0.09691   0.09810   0.09883
  Beta virt. eigenvalues --    0.09999   0.10106   0.10358   0.10486   0.10793
  Beta virt. eigenvalues --    0.10889   0.11051   0.11314   0.11357   0.11408
  Beta virt. eigenvalues --    0.11587   0.11929   0.12055   0.12369   0.12565
  Beta virt. eigenvalues --    0.12588   0.12691   0.12897   0.13040   0.13209
  Beta virt. eigenvalues --    0.13221   0.13480   0.13516   0.13517   0.14134
  Beta virt. eigenvalues --    0.14287   0.14392   0.14573   0.14695   0.14816
  Beta virt. eigenvalues --    0.14829   0.15282   0.15293   0.15355   0.15556
  Beta virt. eigenvalues --    0.15896   0.15937   0.15969   0.16194   0.16334
  Beta virt. eigenvalues --    0.16516   0.16731   0.17136   0.17176   0.17327
  Beta virt. eigenvalues --    0.17525   0.17572   0.18007   0.18055   0.18396
  Beta virt. eigenvalues --    0.18585   0.18605   0.18666   0.18795   0.18800
  Beta virt. eigenvalues --    0.18966   0.19392   0.19417   0.19561   0.19607
  Beta virt. eigenvalues --    0.20001   0.20054   0.20356   0.20478   0.20829
  Beta virt. eigenvalues --    0.20951   0.21045   0.21134   0.21537   0.21637
  Beta virt. eigenvalues --    0.21644   0.21873   0.22140   0.22471   0.22545
  Beta virt. eigenvalues --    0.22565   0.22945   0.23139   0.23447   0.23521
  Beta virt. eigenvalues --    0.23746   0.23893   0.24037   0.24129   0.24339
  Beta virt. eigenvalues --    0.24558   0.24582   0.24593   0.25111   0.25476
  Beta virt. eigenvalues --    0.25541   0.25745   0.25874   0.25957   0.26465
  Beta virt. eigenvalues --    0.26559   0.26884   0.26971   0.27079   0.27216
  Beta virt. eigenvalues --    0.27249   0.27381   0.27749   0.27959   0.27975
  Beta virt. eigenvalues --    0.28504   0.28595   0.28867   0.29052   0.29182
  Beta virt. eigenvalues --    0.29312   0.29401   0.29454   0.29734   0.29832
  Beta virt. eigenvalues --    0.29917   0.30041   0.30249   0.30436   0.30627
  Beta virt. eigenvalues --    0.30836   0.30915   0.31126   0.31565   0.31771
  Beta virt. eigenvalues --    0.31830   0.32284   0.32335   0.32480   0.32664
  Beta virt. eigenvalues --    0.32730   0.33106   0.33411   0.33513   0.33659
  Beta virt. eigenvalues --    0.33973   0.34023   0.34097   0.34174   0.34565
  Beta virt. eigenvalues --    0.34814   0.34947   0.35046   0.35201   0.35501
  Beta virt. eigenvalues --    0.35659   0.35834   0.36136   0.36356   0.36597
  Beta virt. eigenvalues --    0.36658   0.36820   0.37012   0.37098   0.37376
  Beta virt. eigenvalues --    0.37452   0.37657   0.37895   0.38124   0.38147
  Beta virt. eigenvalues --    0.38377   0.38651   0.39021   0.39065   0.39452
  Beta virt. eigenvalues --    0.39505   0.39806   0.40032   0.40226   0.40367
  Beta virt. eigenvalues --    0.40480   0.40601   0.40759   0.40934   0.40980
  Beta virt. eigenvalues --    0.41331   0.41574   0.41660   0.41929   0.42254
  Beta virt. eigenvalues --    0.42341   0.42497   0.42755   0.43103   0.43568
  Beta virt. eigenvalues --    0.43618   0.43721   0.44045   0.44465   0.44522
  Beta virt. eigenvalues --    0.44889   0.45095   0.45457   0.46084   0.46131
  Beta virt. eigenvalues --    0.46500   0.46527   0.46756   0.47157   0.47221
  Beta virt. eigenvalues --    0.47275   0.47701   0.48195   0.48406   0.49046
  Beta virt. eigenvalues --    0.49232   0.49281   0.49335   0.49620   0.50151
  Beta virt. eigenvalues --    0.50267   0.50646   0.50999   0.51273   0.51526
  Beta virt. eigenvalues --    0.51696   0.51899   0.52160   0.52324   0.52479
  Beta virt. eigenvalues --    0.52657   0.52692   0.53234   0.53693   0.53774
  Beta virt. eigenvalues --    0.54079   0.54173   0.54327   0.54548   0.54757
  Beta virt. eigenvalues --    0.55037   0.55543   0.55651   0.56176   0.56320
  Beta virt. eigenvalues --    0.56425   0.56781   0.56896   0.57028   0.57202
  Beta virt. eigenvalues --    0.57365   0.57547   0.57636   0.57842   0.58221
  Beta virt. eigenvalues --    0.58453   0.58557   0.58620   0.59078   0.59081
  Beta virt. eigenvalues --    0.59505   0.59722   0.59987   0.60132   0.60389
  Beta virt. eigenvalues --    0.60597   0.60746   0.61421   0.61426   0.61580
  Beta virt. eigenvalues --    0.61853   0.62141   0.62405   0.62572   0.62741
  Beta virt. eigenvalues --    0.62766   0.63057   0.63207   0.63330   0.63522
  Beta virt. eigenvalues --    0.63904   0.64146   0.64264   0.64764   0.64898
  Beta virt. eigenvalues --    0.65119   0.65255   0.65861   0.65976   0.65986
  Beta virt. eigenvalues --    0.66383   0.66415   0.66777   0.67043   0.67201
  Beta virt. eigenvalues --    0.67327   0.67643   0.67878   0.68440   0.69164
  Beta virt. eigenvalues --    0.69224   0.69372   0.69525   0.69885   0.70008
  Beta virt. eigenvalues --    0.70048   0.70246   0.70425   0.70581   0.70795
  Beta virt. eigenvalues --    0.71243   0.71461   0.71617   0.71734   0.72218
  Beta virt. eigenvalues --    0.72288   0.72591   0.73242   0.73392   0.73492
  Beta virt. eigenvalues --    0.73781   0.74109   0.74312   0.74698   0.74772
  Beta virt. eigenvalues --    0.75242   0.75368   0.75693   0.76303   0.76337
  Beta virt. eigenvalues --    0.76525   0.76703   0.76874   0.77098   0.77255
  Beta virt. eigenvalues --    0.77449   0.77541   0.78134   0.78174   0.78781
  Beta virt. eigenvalues --    0.78855   0.78878   0.79155   0.79378   0.79735
  Beta virt. eigenvalues --    0.80183   0.80455   0.80483   0.80919   0.80930
  Beta virt. eigenvalues --    0.81370   0.81593   0.81911   0.82241   0.82380
  Beta virt. eigenvalues --    0.82772   0.83225   0.83239   0.83510   0.83569
  Beta virt. eigenvalues --    0.84009   0.84428   0.84480   0.85287   0.85868
  Beta virt. eigenvalues --    0.85874   0.85964   0.86059   0.86596   0.86824
  Beta virt. eigenvalues --    0.87343   0.87614   0.88020   0.88255   0.88626
  Beta virt. eigenvalues --    0.88642   0.88985   0.89702   0.90027   0.90182
  Beta virt. eigenvalues --    0.91431   0.91577   0.91883   0.92087   0.92538
  Beta virt. eigenvalues --    0.92549   0.92918   0.93811   0.93910   0.94497
  Beta virt. eigenvalues --    0.94806   0.95002   0.95557   0.95944   0.96077
  Beta virt. eigenvalues --    0.97187   0.97564   0.98269   0.98649   0.98781
  Beta virt. eigenvalues --    0.99490   0.99906   1.00005   1.00234   1.00382
  Beta virt. eigenvalues --    1.01216   1.01263   1.01977   1.02701   1.02951
  Beta virt. eigenvalues --    1.03020   1.04284   1.04458   1.04985   1.05232
  Beta virt. eigenvalues --    1.05648   1.06014   1.06110   1.06441   1.06700
  Beta virt. eigenvalues --    1.07945   1.08391   1.08713   1.08919   1.09969
  Beta virt. eigenvalues --    1.10027   1.10319   1.10864   1.11299   1.11381
  Beta virt. eigenvalues --    1.11580   1.11800   1.12131   1.13400   1.13483
  Beta virt. eigenvalues --    1.14125   1.14534   1.14618   1.15925   1.16175
  Beta virt. eigenvalues --    1.16875   1.16909   1.17245   1.17694   1.18023
  Beta virt. eigenvalues --    1.18286   1.18873   1.19031   1.19513   1.19996
  Beta virt. eigenvalues --    1.20098   1.20795   1.21102   1.21426   1.21437
  Beta virt. eigenvalues --    1.22048   1.22653   1.23045   1.23085   1.23526
  Beta virt. eigenvalues --    1.24485   1.24850   1.25279   1.25349   1.25785
  Beta virt. eigenvalues --    1.26420   1.27013   1.27890   1.28239   1.28641
  Beta virt. eigenvalues --    1.28931   1.29329   1.29349   1.29972   1.30168
  Beta virt. eigenvalues --    1.31038   1.31100   1.31729   1.32486   1.32534
  Beta virt. eigenvalues --    1.32729   1.33538   1.33764   1.33999   1.34494
  Beta virt. eigenvalues --    1.35064   1.35828   1.36061   1.36433   1.36689
  Beta virt. eigenvalues --    1.37355   1.38084   1.38521   1.38695   1.39881
  Beta virt. eigenvalues --    1.40115   1.40652   1.41039   1.41204   1.42022
  Beta virt. eigenvalues --    1.42351   1.43040   1.43358   1.44018   1.44257
  Beta virt. eigenvalues --    1.45141   1.45372   1.45580   1.46414   1.47044
  Beta virt. eigenvalues --    1.47121   1.47638   1.48132   1.49028   1.49113
  Beta virt. eigenvalues --    1.49330   1.50023   1.50754   1.50848   1.51188
  Beta virt. eigenvalues --    1.51266   1.52085   1.52296   1.52308   1.52997
  Beta virt. eigenvalues --    1.53320   1.53488   1.53622   1.54345   1.54557
  Beta virt. eigenvalues --    1.55676   1.56106   1.56335   1.56797   1.56949
  Beta virt. eigenvalues --    1.57023   1.57137   1.57724   1.57989   1.58904
  Beta virt. eigenvalues --    1.59131   1.59136   1.60006   1.60212   1.60409
  Beta virt. eigenvalues --    1.60600   1.60931   1.61026   1.61270   1.61522
  Beta virt. eigenvalues --    1.62038   1.62634   1.63459   1.63468   1.63908
  Beta virt. eigenvalues --    1.64143   1.64341   1.64927   1.65393   1.65505
  Beta virt. eigenvalues --    1.66277   1.66510   1.66967   1.67834   1.67876
  Beta virt. eigenvalues --    1.68275   1.69053   1.69390   1.69891   1.70091
  Beta virt. eigenvalues --    1.70729   1.70922   1.71160   1.72412   1.72544
  Beta virt. eigenvalues --    1.72993   1.73173   1.73210   1.73599   1.73972
  Beta virt. eigenvalues --    1.74045   1.74668   1.74756   1.75545   1.75556
  Beta virt. eigenvalues --    1.75746   1.76058   1.77006   1.77121   1.77631
  Beta virt. eigenvalues --    1.77893   1.78454   1.78475   1.78849   1.79270
  Beta virt. eigenvalues --    1.80203   1.80335   1.80363   1.81394   1.81526
  Beta virt. eigenvalues --    1.82421   1.82440   1.82480   1.83350   1.83400
  Beta virt. eigenvalues --    1.83980   1.84261   1.84619   1.84742   1.85437
  Beta virt. eigenvalues --    1.85764   1.85983   1.86353   1.86488   1.86651
  Beta virt. eigenvalues --    1.87193   1.87385   1.88179   1.88822   1.89333
  Beta virt. eigenvalues --    1.89804   1.90562   1.90646   1.91065   1.91459
  Beta virt. eigenvalues --    1.91645   1.92467   1.92571   1.92726   1.93768
  Beta virt. eigenvalues --    1.93808   1.93981   1.94515   1.95365   1.95708
  Beta virt. eigenvalues --    1.96064   1.96397   1.96666   1.97464   1.97527
  Beta virt. eigenvalues --    1.98549   1.99059   1.99623   1.99817   2.00688
  Beta virt. eigenvalues --    2.01612   2.01996   2.02112   2.02544   2.03026
  Beta virt. eigenvalues --    2.03439   2.03465   2.04385   2.04407   2.05206
  Beta virt. eigenvalues --    2.05718   2.06272   2.06591   2.06951   2.07339
  Beta virt. eigenvalues --    2.07490   2.08588   2.09248   2.09455   2.10000
  Beta virt. eigenvalues --    2.10481   2.10904   2.11104   2.11171   2.12766
  Beta virt. eigenvalues --    2.13364   2.13971   2.15002   2.15417   2.15531
  Beta virt. eigenvalues --    2.15648   2.15998   2.16250   2.16628   2.16678
  Beta virt. eigenvalues --    2.17202   2.17325   2.18422   2.18654   2.19269
  Beta virt. eigenvalues --    2.19614   2.19849   2.20366   2.20548   2.21384
  Beta virt. eigenvalues --    2.21446   2.22133   2.22936   2.24129   2.24237
  Beta virt. eigenvalues --    2.24655   2.25295   2.25866   2.26128   2.26259
  Beta virt. eigenvalues --    2.26753   2.28581   2.28871   2.29007   2.29764
  Beta virt. eigenvalues --    2.30023   2.30452   2.32239   2.32506   2.32818
  Beta virt. eigenvalues --    2.33501   2.33695   2.34217   2.34918   2.35144
  Beta virt. eigenvalues --    2.36033   2.36260   2.36949   2.37191   2.37339
  Beta virt. eigenvalues --    2.37873   2.38787   2.38855   2.39592   2.39730
  Beta virt. eigenvalues --    2.40551   2.40624   2.41813   2.41833   2.42897
  Beta virt. eigenvalues --    2.42981   2.44443   2.44873   2.45614   2.45912
  Beta virt. eigenvalues --    2.46614   2.46629   2.46925   2.47124   2.48119
  Beta virt. eigenvalues --    2.49019   2.49808   2.49977   2.50608   2.50824
  Beta virt. eigenvalues --    2.51800   2.52339   2.53480   2.53765   2.54111
  Beta virt. eigenvalues --    2.54680   2.54821   2.55632   2.56541   2.56862
  Beta virt. eigenvalues --    2.57821   2.57883   2.58669   2.59008   2.59084
  Beta virt. eigenvalues --    2.59549   2.60151   2.62400   2.62447   2.62681
  Beta virt. eigenvalues --    2.63087   2.64152   2.64937   2.65468   2.66196
  Beta virt. eigenvalues --    2.66980   2.67091   2.67656   2.67899   2.69979
  Beta virt. eigenvalues --    2.70051   2.71044   2.71317   2.71931   2.72568
  Beta virt. eigenvalues --    2.74060   2.74961   2.78130   2.78259   2.78643
  Beta virt. eigenvalues --    2.79616   2.81428   2.81715   2.83172   2.84012
  Beta virt. eigenvalues --    2.84563   2.86901   2.87117   2.88991   2.89894
  Beta virt. eigenvalues --    2.91204   2.91750   2.92011   2.94859   2.95638
  Beta virt. eigenvalues --    2.98080   2.98968   2.99963   3.01508   3.03571
  Beta virt. eigenvalues --    3.09506   3.09532   3.10240   3.17399   3.17663
  Beta virt. eigenvalues --    3.20406   3.20998   3.23777   3.23968   3.26408
  Beta virt. eigenvalues --    3.26828   3.29231   3.31133   3.32371   3.34778
  Beta virt. eigenvalues --    3.38456   3.40556   3.40997   3.41541   3.43657
  Beta virt. eigenvalues --    3.45061   3.45177   3.46612   3.48244   3.50076
  Beta virt. eigenvalues --    3.51634   3.52186   3.55036   3.55389   3.56187
  Beta virt. eigenvalues --    3.59661   3.60186   3.62079   3.63060   3.64879
  Beta virt. eigenvalues --    3.65161   3.67610   3.69777   3.72665   3.74306
  Beta virt. eigenvalues --    3.76852   3.79616   3.87944   3.88968   3.94530
  Beta virt. eigenvalues --    3.99121   4.02770   4.09267   4.12425   4.17810
  Beta virt. eigenvalues --    4.27934   4.32792   4.33041   4.39240   4.40528
  Beta virt. eigenvalues --    4.52437   4.52463   4.55478   4.55641   4.55778
  Beta virt. eigenvalues --    4.56217   4.57039   4.57794   4.58270   4.58398
  Beta virt. eigenvalues --    4.60885   4.60907   4.61935   4.62949   4.63571
  Beta virt. eigenvalues --    4.64423   4.67565   4.67609   4.69433   4.70563
  Beta virt. eigenvalues --    4.73340   4.74577   4.76145   4.76356   4.81557
  Beta virt. eigenvalues --    4.82132   4.84277   4.84809   4.89416   4.89710
  Beta virt. eigenvalues --    5.01243   5.01511   5.48135   5.50986   5.86158
  Beta virt. eigenvalues --    6.06930   6.12638   6.12946   6.14784   6.59756
  Beta virt. eigenvalues --    6.61587
          Condensed to atoms (all electrons):
          Atomic-Atomic Spin Densities.
 Mulliken charges and spin densities:
               1          2
     1  C    1.288767  -0.000204
     2  C    2.177767  -0.001079
     3  C    0.851309   0.006667
     4  C   -0.878294  -0.023378
     5  C   -0.472479   0.017533
     6  C    1.760672  -0.002011
     7  C   -4.192019   0.000081
     8  O   -0.516810   0.095758
     9  Cu   0.888351   0.614611
    10  O   -0.567892   0.094287
    11  C   -0.085920  -0.011912
    12  C    1.744461   0.012255
    13  F   -0.517665   0.000774
    14  C    2.005444   0.000700
    15  C    2.355265   0.001074
    16  C    2.169254  -0.000749
    17  O   -0.516992   0.095788
    18  C   -0.877905  -0.023359
    19  C   -0.470927   0.017521
    20  C   -4.192800   0.000088
    21  C    2.177814  -0.001074
    22  C    0.851531   0.006675
    23  C    1.289057  -0.000205
    24  C    1.761057  -0.002005
    25  C    2.169933  -0.000752
    26  C    2.354032   0.001076
    27  C    2.004825   0.000704
    28  C   -0.085541  -0.011909
    29  C    1.744053   0.012252
    30  F   -0.517704   0.000772
    31  O   -0.568602   0.094240
    32  F   -0.540065   0.000929
    33  F   -0.536755  -0.000062
    34  F   -0.536755  -0.000061
    35  F   -0.540094   0.000928
    36  H   -0.579302   0.000218
    37  H   -0.709139   0.000567
    38  H   -0.597015  -0.000048
    39  H   -0.716837  -0.000060
    40  H   -1.258553   0.000469
    41  H   -0.328473   0.000124
    42  H   -0.339994  -0.000137
    43  H   -0.347778   0.000011
    44  H   -0.416996  -0.000065
    45  H   -0.269538   0.000276
    46  H   -0.264402  -0.000053
    47  H   -0.218975   0.000084
    48  H   -0.314977  -0.000074
    49  H   -0.127518   0.000713
    50  H   -0.339775  -0.000137
    51  H   -0.328797   0.000125
    52  H   -0.347893   0.000011
    53  H   -0.263850  -0.000053
    54  H   -0.269874   0.000276
    55  H   -0.417138  -0.000065
    56  H   -0.596710  -0.000048
    57  H   -0.716761  -0.000060
    58  H   -0.708883   0.000567
    59  H   -0.578975   0.000216
    60  H   -1.258387   0.000469
    61  H   -0.314801  -0.000074
    62  H   -0.218835   0.000084
    63  H   -0.128196   0.000712
 Sum of Mulliken charges =  -0.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  C   -0.024704  -0.000312
     2  C    0.919380  -0.000610
     3  C    0.851309   0.006667
     4  C   -0.878294  -0.023378
     5  C   -0.472479   0.017533
     6  C    0.472814  -0.001228
     7  C   -4.192019   0.000081
     8  O   -0.516810   0.095758
     9  Cu   0.888351   0.614611
    10  O   -0.567892   0.094287
    11  C   -0.085920  -0.011912
    12  C    1.744461   0.012255
    13  F   -0.517665   0.000774
    14  C    1.343611   0.001422
    15  C    1.404404   0.001232
    16  C    1.152789  -0.000751
    17  O   -0.516992   0.095788
    18  C   -0.877905  -0.023359
    19  C   -0.470927   0.017521
    20  C   -4.192800   0.000088
    21  C    0.919261  -0.000606
    22  C    0.851531   0.006675
    23  C   -0.024796  -0.000313
    24  C    0.472616  -0.001220
    25  C    1.153688  -0.000753
    26  C    1.403096   0.001234
    27  C    1.343355   0.001427
    28  C   -0.085541  -0.011909
    29  C    1.744053   0.012252
    30  F   -0.517704   0.000772
    31  O   -0.568602   0.094240
    32  F   -0.540065   0.000929
    33  F   -0.536755  -0.000062
    34  F   -0.536755  -0.000061
    35  F   -0.540094   0.000928
 Electronic spatial extent (au):  <R**2>=          19805.6341
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0016    Y=             -0.0015    Z=              0.7333  Tot=              0.7333
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -186.2897   YY=           -227.6365   ZZ=           -209.4627
   XY=             21.4263   XZ=              0.0057   YZ=              0.0013
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             21.5066   YY=            -19.8402   ZZ=             -1.6664
   XY=             21.4263   XZ=              0.0057   YZ=              0.0013
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0465  YYY=              0.0085  ZZZ=            -26.3363  XYY=              0.0017
  XXY=             -0.0033  XXZ=              5.4072  XZZ=             -0.0044  YZZ=              0.0086
  YYZ=              0.2249  XYZ=             -6.7031
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -18334.2988 YYYY=          -5351.2508 ZZZZ=          -1578.1852 XXXY=            -94.9736
 XXXZ=              0.0915 YYYX=           -221.3562 YYYZ=              0.0083 ZZZX=             -0.0068
 ZZZY=             -0.0180 XXYY=          -4087.1046 XXZZ=          -3438.2476 YYZZ=          -1132.6513
 XXYZ=             -0.0279 YYXZ=              0.0143 ZZXY=           -110.0156
 N-N= 4.927325549161D+03 E-N=-1.807447542711D+04  KE= 3.460158254484D+03
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  C(13)             -0.00009      -0.09695      -0.03460      -0.03234
     2  C(13)             -0.00038      -0.43021      -0.15351      -0.14350
     3  C(13)             -0.00066      -0.73927      -0.26379      -0.24659
     4  C(13)             -0.00368      -4.13144      -1.47420      -1.37810
     5  C(13)              0.00672       7.55009       2.69406       2.51844
     6  C(13)             -0.00054      -0.60441      -0.21567      -0.20161
     7  C(13)             -0.00023      -0.26142      -0.09328      -0.08720
     8  O(17)              0.06639     -40.24232     -14.35946     -13.42339
     9  Cu(63)             0.01878      22.27405       7.94793       7.42982
    10  O(17)              0.06764     -41.00417     -14.63131     -13.67752
    11  C(13)              0.00103       1.15839       0.41334       0.38640
    12  C(13)              0.01404      15.78057       5.63090       5.26383
    13  F(19)              0.00078       3.28065       1.17062       1.09431
    14  C(13)             -0.00037      -0.41200      -0.14701      -0.13743
    15  C(13)              0.00034       0.38369       0.13691       0.12798
    16  C(13)              0.00000       0.00549       0.00196       0.00183
    17  O(17)              0.06641     -40.25643     -14.36449     -13.42810
    18  C(13)             -0.00368      -4.13339      -1.47490      -1.37875
    19  C(13)              0.00672       7.55152       2.69457       2.51891
    20  C(13)             -0.00023      -0.26232      -0.09360      -0.08750
    21  C(13)             -0.00038      -0.43007      -0.15346      -0.14346
    22  C(13)             -0.00066      -0.73897      -0.26368      -0.24649
    23  C(13)             -0.00009      -0.09717      -0.03467      -0.03241
    24  C(13)             -0.00054      -0.60318      -0.21523      -0.20120
    25  C(13)              0.00000       0.00548       0.00196       0.00183
    26  C(13)              0.00034       0.38391       0.13699       0.12806
    27  C(13)             -0.00037      -0.41194      -0.14699      -0.13741
    28  C(13)              0.00103       1.16202       0.41464       0.38761
    29  C(13)              0.01403      15.77658       5.62947       5.26250
    30  F(19)              0.00078       3.26806       1.16612       1.09011
    31  O(17)              0.06763     -40.99818     -14.62917     -13.67552
    32  F(19)              0.00116       4.89361       1.74616       1.63233
    33  F(19)             -0.00018      -0.75662      -0.26998      -0.25238
    34  F(19)             -0.00018      -0.75683      -0.27006      -0.25245
    35  F(19)              0.00116       4.88454       1.74293       1.62931
    36  H(1)               0.00015       0.67337       0.24027       0.22461
    37  H(1)               0.00005       0.24456       0.08726       0.08158
    38  H(1)               0.00001       0.02555       0.00912       0.00852
    39  H(1)              -0.00001      -0.03311      -0.01181      -0.01104
    40  H(1)               0.00008       0.34292       0.12236       0.11438
    41  H(1)              -0.00001      -0.02541      -0.00907      -0.00848
    42  H(1)               0.00000       0.00766       0.00274       0.00256
    43  H(1)              -0.00000      -0.00387      -0.00138      -0.00129
    44  H(1)              -0.00000      -0.02231      -0.00796      -0.00744
    45  H(1)               0.00007       0.32404       0.11563       0.10809
    46  H(1)              -0.00000      -0.00843      -0.00301      -0.00281
    47  H(1)               0.00000       0.01052       0.00376       0.00351
    48  H(1)               0.00004       0.17190       0.06134       0.05734
    49  H(1)               0.00001       0.05538       0.01976       0.01847
    50  H(1)               0.00000       0.00790       0.00282       0.00263
    51  H(1)              -0.00001      -0.02564      -0.00915      -0.00855
    52  H(1)              -0.00000      -0.00395      -0.00141      -0.00132
    53  H(1)              -0.00000      -0.00836      -0.00298      -0.00279
    54  H(1)               0.00007       0.32448       0.11578       0.10824
    55  H(1)              -0.00000      -0.02232      -0.00797      -0.00745
    56  H(1)               0.00001       0.02538       0.00906       0.00846
    57  H(1)              -0.00001      -0.03308      -0.01181      -0.01104
    58  H(1)               0.00005       0.24465       0.08730       0.08161
    59  H(1)               0.00015       0.67080       0.23936       0.22376
    60  H(1)               0.00008       0.34340       0.12253       0.11455
    61  H(1)               0.00004       0.17241       0.06152       0.05751
    62  H(1)               0.00000       0.01061       0.00379       0.00354
    63  H(1)               0.00001       0.05516       0.01968       0.01840
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom        0.001726     -0.000922     -0.000804
     2   Atom        0.002257     -0.000897     -0.001361
     3   Atom        0.002536      0.009711     -0.012248
     4   Atom        0.022068     -0.003930     -0.018138
     5   Atom        0.016223     -0.004485     -0.011738
     6   Atom        0.001574     -0.000871     -0.000703
     7   Atom        0.002472     -0.000887     -0.001585
     8   Atom       -0.021529      0.179405     -0.157876
     9   Atom        1.839296      1.877571     -3.716867
    10   Atom       -0.120907      0.261765     -0.140859
    11   Atom        0.016696     -0.002515     -0.014181
    12   Atom       -0.002713      0.012481     -0.009768
    13   Atom       -0.001131      0.005412     -0.004280
    14   Atom        0.000801      0.000745     -0.001546
    15   Atom        0.001599     -0.000768     -0.000831
    16   Atom        0.001070     -0.001026     -0.000044
    17   Atom       -0.021763      0.179631     -0.157868
    18   Atom        0.022075     -0.003922     -0.018153
    19   Atom        0.016210     -0.004466     -0.011743
    20   Atom        0.002473     -0.000888     -0.001585
    21   Atom        0.002257     -0.000897     -0.001360
    22   Atom        0.002537      0.009711     -0.012248
    23   Atom        0.001726     -0.000923     -0.000804
    24   Atom        0.001573     -0.000872     -0.000701
    25   Atom        0.001070     -0.001025     -0.000045
    26   Atom        0.001599     -0.000767     -0.000831
    27   Atom        0.000800      0.000746     -0.001546
    28   Atom        0.016696     -0.002525     -0.014171
    29   Atom       -0.002705      0.012472     -0.009766
    30   Atom       -0.001125      0.005397     -0.004272
    31   Atom       -0.120690      0.261434     -0.140744
    32   Atom        0.000542      0.003054     -0.003596
    33   Atom        0.000018      0.002099     -0.002117
    34   Atom        0.000017      0.002099     -0.002116
    35   Atom        0.000534      0.003059     -0.003593
    36   Atom        0.000885     -0.000355     -0.000530
    37   Atom        0.001066     -0.000781     -0.000286
    38   Atom        0.001051     -0.000554     -0.000497
    39   Atom        0.001353     -0.000954     -0.000399
    40   Atom        0.001796     -0.000730     -0.001066
    41   Atom        0.001261     -0.001637      0.000376
    42   Atom        0.000577     -0.000716      0.000139
    43   Atom        0.000789     -0.000678     -0.000111
    44   Atom        0.000946     -0.000427     -0.000519
    45   Atom        0.000778     -0.000376     -0.000402
    46   Atom        0.000684     -0.000311     -0.000373
    47   Atom       -0.000044      0.002013     -0.001969
    48   Atom        0.000434      0.000406     -0.000840
    49   Atom        0.000202      0.000373     -0.000575
    50   Atom        0.000577     -0.000718      0.000140
    51   Atom        0.001262     -0.001640      0.000378
    52   Atom        0.000788     -0.000679     -0.000110
    53   Atom        0.000684     -0.000311     -0.000373
    54   Atom        0.000778     -0.000377     -0.000401
    55   Atom        0.000947     -0.000428     -0.000519
    56   Atom        0.001052     -0.000554     -0.000497
    57   Atom        0.001353     -0.000953     -0.000401
    58   Atom        0.001068     -0.000782     -0.000286
    59   Atom        0.000886     -0.000356     -0.000530
    60   Atom        0.001796     -0.000730     -0.001066
    61   Atom        0.000435      0.000405     -0.000840
    62   Atom       -0.000041      0.002009     -0.001967
    63   Atom        0.000202      0.000374     -0.000577
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000208     -0.000963      0.000018
     2   Atom       -0.000455     -0.000084     -0.000005
     3   Atom       -0.001914      0.000226     -0.000858
     4   Atom        0.002745      0.001463      0.001816
     5   Atom        0.013591      0.000872      0.000525
     6   Atom        0.001189     -0.001084     -0.000445
     7   Atom       -0.000382      0.001069     -0.000116
     8   Atom        0.263019      0.060025      0.088415
     9   Atom       -0.010888     -0.004093     -0.000955
    10   Atom       -0.170318     -0.036532      0.098008
    11   Atom       -0.005779     -0.000839      0.001474
    12   Atom       -0.011235     -0.001131      0.002329
    13   Atom       -0.005587      0.001640     -0.003009
    14   Atom        0.002099      0.000660      0.000685
    15   Atom        0.000518      0.000443      0.000098
    16   Atom        0.000179      0.001462      0.000047
    17   Atom        0.263015     -0.060178     -0.088629
    18   Atom        0.002760     -0.001425     -0.001796
    19   Atom        0.013610     -0.000840     -0.000510
    20   Atom       -0.000378     -0.001065      0.000114
    21   Atom       -0.000454      0.000085      0.000005
    22   Atom       -0.001923     -0.000226      0.000852
    23   Atom        0.000210      0.000965     -0.000018
    24   Atom        0.001192      0.001087      0.000447
    25   Atom        0.000179     -0.001460     -0.000047
    26   Atom        0.000519     -0.000441     -0.000098
    27   Atom        0.002100     -0.000661     -0.000686
    28   Atom       -0.005772      0.000852     -0.001490
    29   Atom       -0.011239      0.001132     -0.002329
    30   Atom       -0.005576     -0.001636      0.002999
    31   Atom       -0.170440      0.036580     -0.098054
    32   Atom       -0.007622      0.004115     -0.005233
    33   Atom       -0.002191      0.000526     -0.000684
    34   Atom       -0.002191     -0.000525      0.000686
    35   Atom       -0.007610     -0.004106      0.005227
    36   Atom        0.000876      0.000569      0.000278
    37   Atom        0.001436      0.001682      0.000886
    38   Atom        0.000101      0.000466     -0.000004
    39   Atom       -0.000035      0.001310     -0.000055
    40   Atom       -0.000494     -0.000177     -0.000033
    41   Atom        0.000073     -0.002586      0.000049
    42   Atom        0.000434     -0.001141     -0.000313
    43   Atom       -0.000075     -0.000977      0.000076
    44   Atom        0.000356      0.000002      0.000024
    45   Atom        0.000083     -0.000309      0.000002
    46   Atom        0.000441     -0.000431     -0.000180
    47   Atom        0.002298     -0.000123     -0.000155
    48   Atom        0.001142     -0.000293     -0.000334
    49   Atom        0.001697     -0.001180     -0.001468
    50   Atom        0.000435      0.001143      0.000314
    51   Atom        0.000072      0.002590     -0.000050
    52   Atom       -0.000074      0.000978     -0.000076
    53   Atom        0.000441      0.000431      0.000180
    54   Atom        0.000083      0.000310     -0.000002
    55   Atom        0.000355     -0.000001     -0.000024
    56   Atom        0.000100     -0.000465      0.000005
    57   Atom       -0.000037     -0.001308      0.000056
    58   Atom        0.001432     -0.001681     -0.000883
    59   Atom        0.000875     -0.000569     -0.000277
    60   Atom       -0.000495      0.000179      0.000033
    61   Atom        0.001142      0.000293      0.000334
    62   Atom        0.002298      0.000122      0.000152
    63   Atom        0.001698      0.001180      0.001468
 --------------------------------------------------------


 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa    -0.0012    -0.156    -0.056    -0.052  0.3192 -0.3481  0.8815
     1 C(13)  Bbb    -0.0009    -0.121    -0.043    -0.040  0.0540  0.9353  0.3498
              Bcc     0.0021     0.277     0.099     0.092  0.9462  0.0640 -0.3173
 
              Baa    -0.0014    -0.183    -0.065    -0.061  0.0280  0.0380  0.9989
     2 C(13)  Bbb    -0.0010    -0.129    -0.046    -0.043  0.1387  0.9895 -0.0415
              Bcc     0.0023     0.312     0.111     0.104  0.9899 -0.1397 -0.0224
 
              Baa    -0.0123    -1.648    -0.588    -0.550 -0.0103  0.0381  0.9992
     3 C(13)  Bbb     0.0021     0.276     0.099     0.092  0.9701  0.2427  0.0008
              Bcc     0.0102     1.372     0.490     0.458 -0.2425  0.9693 -0.0394
 
              Baa    -0.0184    -2.469    -0.881    -0.823 -0.0278 -0.1193  0.9925
     4 C(13)  Bbb    -0.0040    -0.540    -0.193    -0.180 -0.1103  0.9872  0.1155
              Bcc     0.0224     3.009     1.074     1.004  0.9935  0.1063  0.0406
 
              Baa    -0.0118    -1.581    -0.564    -0.527  0.0393 -0.1445  0.9887
     5 C(13)  Bbb    -0.0112    -1.503    -0.536    -0.501 -0.4429  0.8844  0.1468
              Bcc     0.0230     3.084     1.101     1.029  0.8957  0.4437  0.0292
 
              Baa    -0.0014    -0.182    -0.065    -0.061 -0.3710  0.9285  0.0168
     6 C(13)  Bbb    -0.0011    -0.152    -0.054    -0.051  0.3259  0.1132  0.9386
              Bcc     0.0025     0.334     0.119     0.111  0.8696  0.3537 -0.3446
 
              Baa    -0.0018    -0.248    -0.089    -0.083 -0.2381  0.0224  0.9710
     7 C(13)  Bbb    -0.0009    -0.125    -0.045    -0.042  0.1103  0.9939  0.0041
              Bcc     0.0028     0.373     0.133     0.124  0.9650 -0.1081  0.2391
 
              Baa    -0.2026    14.663     5.232     4.891  0.8202 -0.5713  0.0285
     8 O(17)  Bbb    -0.1790    12.954     4.622     4.321 -0.1340 -0.1435  0.9805
              Bcc     0.3817   -27.616    -9.854    -9.212  0.5561  0.8081  0.1943
 
              Baa    -3.7169  -526.241  -187.776  -175.535  0.0007  0.0002  1.0000
     9 Cu(63) Bbb     1.8364   260.003    92.776    86.728  0.9667  0.2558 -0.0008
              Bcc     1.8805   266.237    95.000    88.807 -0.2558  0.9667  0.0000
 
              Baa    -0.1858    13.441     4.796     4.483  0.9319  0.3614 -0.0305
    10 O(17)  Bbb    -0.1632    11.807     4.213     3.938  0.1034 -0.1840  0.9775
              Bcc     0.3489   -25.248    -9.009    -8.422 -0.3476  0.9141  0.2088
 
              Baa    -0.0144    -1.928    -0.688    -0.643  0.0042 -0.1214  0.9926
    11 C(13)  Bbb    -0.0040    -0.534    -0.191    -0.178  0.2717  0.9554  0.1157
              Bcc     0.0183     2.462     0.878     0.821  0.9624 -0.2692 -0.0370
 
              Baa    -0.0100    -1.343    -0.479    -0.448 -0.0189 -0.1123  0.9935
    12 C(13)  Bbb    -0.0087    -1.164    -0.415    -0.388  0.8842  0.4620  0.0690
              Bcc     0.0187     2.507     0.895     0.836 -0.4668  0.8797  0.0906
 
              Baa    -0.0051    -2.582    -0.921    -0.861 -0.0432  0.2527  0.9666
    13 F(19)  Bbb    -0.0043    -2.174    -0.776    -0.725  0.8754  0.4758 -0.0853
              Bcc     0.0095     4.755     1.697     1.586 -0.4815  0.8424 -0.2418
 
              Baa    -0.0017    -0.234    -0.083    -0.078 -0.1038 -0.1817  0.9779
    14 C(13)  Bbb    -0.0013    -0.178    -0.063    -0.059  0.7102 -0.7018 -0.0551
              Bcc     0.0031     0.412     0.147     0.137  0.6963  0.6888  0.2019
 
              Baa    -0.0009    -0.122    -0.044    -0.041 -0.1343 -0.1830  0.9739
    15 C(13)  Bbb    -0.0009    -0.117    -0.042    -0.039 -0.2282  0.9621  0.1493
              Bcc     0.0018     0.240     0.086     0.080  0.9643  0.2022  0.1709
 
              Baa    -0.0011    -0.148    -0.053    -0.050 -0.4545  0.6622  0.5958
    16 C(13)  Bbb    -0.0010    -0.132    -0.047    -0.044  0.3413  0.7473 -0.5702
              Bcc     0.0021     0.280     0.100     0.093  0.8227  0.0558  0.5657
 
              Baa    -0.2027    14.668     5.234     4.893  0.8207 -0.5707 -0.0267
    17 O(17)  Bbb    -0.1791    12.961     4.625     4.323  0.1327  0.1450  0.9805
              Bcc     0.3818   -27.629    -9.859    -9.216  0.5557  0.8082 -0.1947
 
              Baa    -0.0184    -2.470    -0.881    -0.824  0.0269  0.1180  0.9927
    18 C(13)  Bbb    -0.0040    -0.540    -0.193    -0.180 -0.1106  0.9873 -0.1143
              Bcc     0.0224     3.010     1.074     1.004  0.9935  0.1068 -0.0396
 
              Baa    -0.0118    -1.581    -0.564    -0.527 -0.0403  0.1439  0.9888
    19 C(13)  Bbb    -0.0112    -1.504    -0.537    -0.502 -0.4434  0.8842 -0.1467
              Bcc     0.0230     3.085     1.101     1.029  0.8954  0.4444 -0.0282
 
              Baa    -0.0018    -0.248    -0.088    -0.083  0.2376 -0.0213  0.9711
    20 C(13)  Bbb    -0.0009    -0.125    -0.045    -0.042  0.1090  0.9940 -0.0049
              Bcc     0.0028     0.373     0.133     0.124  0.9652 -0.1070 -0.2385
 
              Baa    -0.0014    -0.183    -0.065    -0.061 -0.0282 -0.0373  0.9989
    21 C(13)  Bbb    -0.0010    -0.129    -0.046    -0.043  0.1384  0.9895  0.0409
              Bcc     0.0023     0.312     0.111     0.104  0.9900 -0.1394  0.0227
 
              Baa    -0.0123    -1.648    -0.588    -0.550  0.0103 -0.0378  0.9992
    22 C(13)  Bbb     0.0021     0.276     0.098     0.092  0.9699  0.2437 -0.0008
              Bcc     0.0102     1.373     0.490     0.458 -0.2435  0.9691  0.0392
 
              Baa    -0.0012    -0.156    -0.056    -0.052 -0.3198  0.3481  0.8812
    23 C(13)  Bbb    -0.0009    -0.121    -0.043    -0.040  0.0536  0.9352 -0.3499
              Bcc     0.0021     0.277     0.099     0.092  0.9460  0.0647  0.3178
 
              Baa    -0.0014    -0.182    -0.065    -0.061 -0.3716  0.9283 -0.0165
    24 C(13)  Bbb    -0.0011    -0.152    -0.054    -0.051 -0.3266 -0.1140  0.9383
              Bcc     0.0025     0.334     0.119     0.111  0.8691  0.3540  0.3455
 
              Baa    -0.0011    -0.148    -0.053    -0.049 -0.4548  0.6610 -0.5968
    25 C(13)  Bbb    -0.0010    -0.131    -0.047    -0.044  0.3404  0.7483  0.5694
              Bcc     0.0021     0.280     0.100     0.093  0.8230  0.0558 -0.5653
 
              Baa    -0.0009    -0.122    -0.044    -0.041  0.1333  0.1830  0.9740
    26 C(13)  Bbb    -0.0009    -0.117    -0.042    -0.039 -0.2286  0.9620 -0.1495
              Bcc     0.0018     0.240     0.085     0.080  0.9643  0.2028 -0.1701
 
              Baa    -0.0017    -0.234    -0.083    -0.078  0.1038  0.1820  0.9778
    27 C(13)  Bbb    -0.0013    -0.178    -0.063    -0.059  0.7104 -0.7017  0.0552
              Bcc     0.0031     0.412     0.147     0.137  0.6961  0.6889 -0.2021
 
              Baa    -0.0144    -1.927    -0.688    -0.643 -0.0044  0.1228  0.9924
    28 C(13)  Bbb    -0.0040    -0.534    -0.191    -0.178  0.2715  0.9553 -0.1170
              Bcc     0.0183     2.461     0.878     0.821  0.9624 -0.2689  0.0376
 
              Baa    -0.0100    -1.343    -0.479    -0.448  0.0192  0.1125  0.9935
    29 C(13)  Bbb    -0.0087    -1.164    -0.415    -0.388  0.8840  0.4623 -0.0695
              Bcc     0.0187     2.507     0.894     0.836 -0.4671  0.8796 -0.0906
 
              Baa    -0.0051    -2.576    -0.919    -0.859  0.0436 -0.2523  0.9667
    30 F(19)  Bbb    -0.0043    -2.168    -0.774    -0.723  0.8752  0.4762  0.0848
              Bcc     0.0094     4.744     1.693     1.582 -0.4817  0.8424  0.2416
 
              Baa    -0.1857    13.436     4.794     4.482  0.9316  0.3621  0.0317
    31 O(17)  Bbb    -0.1631    11.801     4.211     3.937 -0.1047  0.1837  0.9774
              Bcc     0.3488   -25.238    -9.005    -8.418 -0.3481  0.9139 -0.2091
 
              Baa    -0.0065    -3.252    -1.160    -1.085  0.0652  0.5199  0.8518
    32 F(19)  Bbb    -0.0058    -2.928    -1.045    -0.977  0.8027  0.4798 -0.3543
              Bcc     0.0123     6.181     2.205     2.062 -0.5929  0.7068 -0.3860
 
              Baa    -0.0023    -1.131    -0.404    -0.377 -0.1536  0.0775  0.9851
    33 F(19)  Bbb    -0.0014    -0.683    -0.244    -0.228  0.8337  0.5453  0.0871
              Bcc     0.0036     1.814     0.647     0.605 -0.5304  0.8347 -0.1484
 
              Baa    -0.0023    -1.131    -0.404    -0.377  0.1515 -0.0792  0.9853
    34 F(19)  Bbb    -0.0014    -0.684    -0.244    -0.228  0.8342  0.5450 -0.0844
              Bcc     0.0036     1.815     0.647     0.605 -0.5303  0.8347  0.1486
 
              Baa    -0.0065    -3.248    -1.159    -1.083 -0.0649 -0.5194  0.8521
    35 F(19)  Bbb    -0.0058    -2.924    -1.043    -0.975  0.8029  0.4799  0.3536
              Bcc     0.0123     6.172     2.202     2.059 -0.5925  0.7071  0.3859
 
              Baa    -0.0008    -0.433    -0.154    -0.144 -0.4937  0.8561  0.1531
    36 H(1)   Bbb    -0.0007    -0.385    -0.137    -0.128 -0.1842 -0.2749  0.9437
              Bcc     0.0015     0.818     0.292     0.273  0.8499  0.4377  0.2934
 
              Baa    -0.0016    -0.836    -0.298    -0.279 -0.5339  0.8367  0.1220
    37 H(1)   Bbb    -0.0014    -0.744    -0.265    -0.248 -0.3725 -0.3623  0.8544
              Bcc     0.0030     1.580     0.564     0.527  0.7591  0.4107  0.5051
 
              Baa    -0.0006    -0.341    -0.122    -0.114 -0.2676  0.3677  0.8906
    38 H(1)   Bbb    -0.0005    -0.292    -0.104    -0.097  0.0486  0.9283 -0.3687
              Bcc     0.0012     0.633     0.226     0.211  0.9623  0.0554  0.2663
 
              Baa    -0.0011    -0.590    -0.211    -0.197 -0.4578  0.2059  0.8649
    39 H(1)   Bbb    -0.0009    -0.506    -0.181    -0.169  0.1134  0.9784 -0.1729
              Bcc     0.0021     1.096     0.391     0.366  0.8818 -0.0189  0.4712
 
              Baa    -0.0011    -0.582    -0.208    -0.194  0.0975  0.2221  0.9701
    40 H(1)   Bbb    -0.0008    -0.431    -0.154    -0.144  0.1656  0.9576 -0.2359
              Bcc     0.0019     1.013     0.361     0.338  0.9814 -0.1836 -0.0566
 
              Baa    -0.0018    -0.982    -0.350    -0.327  0.5969 -0.3833  0.7049
    41 H(1)   Bbb    -0.0016    -0.855    -0.305    -0.285  0.2437  0.9236  0.2959
              Bcc     0.0034     1.837     0.655     0.613  0.7644  0.0048 -0.6447
 
              Baa    -0.0009    -0.458    -0.163    -0.153 -0.4789  0.8295 -0.2874
    42 H(1)   Bbb    -0.0008    -0.417    -0.149    -0.139  0.4498  0.5130  0.7311
              Bcc     0.0016     0.875     0.312     0.292  0.7539  0.2209 -0.6187
 
              Baa    -0.0007    -0.398    -0.142    -0.133  0.4908 -0.3509  0.7975
    43 H(1)   Bbb    -0.0007    -0.360    -0.128    -0.120  0.2285  0.9351  0.2709
              Bcc     0.0014     0.758     0.270     0.253  0.8408 -0.0493 -0.5391
 
              Baa    -0.0005    -0.288    -0.103    -0.096  0.1549 -0.6509  0.7432
    44 H(1)   Bbb    -0.0005    -0.263    -0.094    -0.088 -0.1792  0.7212  0.6691
              Bcc     0.0010     0.551     0.197     0.184  0.9715  0.2368  0.0049
 
              Baa    -0.0005    -0.258    -0.092    -0.086  0.2458 -0.2120  0.9459
    45 H(1)   Bbb    -0.0004    -0.201    -0.072    -0.067 -0.0110  0.9751  0.2214
              Bcc     0.0009     0.459     0.164     0.153  0.9692  0.0649 -0.2374
 
              Baa    -0.0005    -0.285    -0.102    -0.095  0.2006  0.3422  0.9180
    46 H(1)   Bbb    -0.0005    -0.253    -0.090    -0.085 -0.4207  0.8763 -0.2347
              Bcc     0.0010     0.538     0.192     0.180  0.8847  0.3392 -0.3198
 
              Baa    -0.0020    -1.055    -0.376    -0.352  0.0560  0.0065  0.9984
    47 H(1)   Bbb    -0.0015    -0.818    -0.292    -0.273  0.8374 -0.5448 -0.0434
              Bcc     0.0035     1.872     0.668     0.625  0.5437  0.8385 -0.0359
 
              Baa    -0.0009    -0.493    -0.176    -0.164  0.0166  0.2302  0.9730
    48 H(1)   Bbb    -0.0007    -0.383    -0.137    -0.128  0.7152 -0.6828  0.1493
              Bcc     0.0016     0.876     0.312     0.292  0.6987  0.6934 -0.1760
 
              Baa    -0.0016    -0.879    -0.314    -0.293 -0.0954  0.6362  0.7656
    49 H(1)   Bbb    -0.0013    -0.711    -0.254    -0.237  0.7966 -0.4124  0.4420
              Bcc     0.0030     1.590     0.567     0.530  0.5970  0.6520 -0.4674
 
              Baa    -0.0009    -0.459    -0.164    -0.153 -0.4782  0.8306  0.2855
    50 H(1)   Bbb    -0.0008    -0.418    -0.149    -0.139 -0.4511 -0.5112  0.7316
              Bcc     0.0016     0.877     0.313     0.293  0.7535  0.2211  0.6191
 
              Baa    -0.0018    -0.983    -0.351    -0.328 -0.5966  0.3841  0.7046
    51 H(1)   Bbb    -0.0016    -0.856    -0.306    -0.286  0.2445  0.9233 -0.2963
              Bcc     0.0034     1.839     0.656     0.614  0.7644  0.0045  0.6448
 
              Baa    -0.0007    -0.398    -0.142    -0.133 -0.4908  0.3530  0.7966
    52 H(1)   Bbb    -0.0007    -0.360    -0.128    -0.120  0.2297  0.9343 -0.2725
              Bcc     0.0014     0.758     0.270     0.253  0.8404 -0.0492  0.5397
 
              Baa    -0.0005    -0.285    -0.102    -0.095 -0.2014 -0.3419  0.9179
    53 H(1)   Bbb    -0.0005    -0.253    -0.090    -0.085 -0.4205  0.8765  0.2342
              Bcc     0.0010     0.538     0.192     0.180  0.8846  0.3389  0.3203
 
              Baa    -0.0005    -0.258    -0.092    -0.086 -0.2465  0.2129  0.9455
    54 H(1)   Bbb    -0.0004    -0.201    -0.072    -0.067 -0.0102  0.9749 -0.2223
              Bcc     0.0009     0.459     0.164     0.153  0.9691  0.0645  0.2381
 
              Baa    -0.0005    -0.288    -0.103    -0.096 -0.1550  0.6509  0.7432
    55 H(1)   Bbb    -0.0005    -0.263    -0.094    -0.088 -0.1784  0.7215 -0.6691
              Bcc     0.0010     0.551     0.197     0.184  0.9717  0.2363 -0.0043
 
              Baa    -0.0006    -0.341    -0.122    -0.114  0.2668 -0.3676  0.8909
    56 H(1)   Bbb    -0.0005    -0.292    -0.104    -0.097  0.0488  0.9284  0.3684
              Bcc     0.0012     0.633     0.226     0.211  0.9625  0.0548 -0.2656
 
              Baa    -0.0011    -0.590    -0.210    -0.197  0.4573 -0.2057  0.8652
    57 H(1)   Bbb    -0.0009    -0.505    -0.180    -0.169  0.1137  0.9784  0.1725
              Bcc     0.0021     1.095     0.391     0.365  0.8820 -0.0195 -0.4708
 
              Baa    -0.0016    -0.835    -0.298    -0.279 -0.5344  0.8359 -0.1250
    58 H(1)   Bbb    -0.0014    -0.743    -0.265    -0.248  0.3709  0.3649  0.8540
              Bcc     0.0030     1.579     0.563     0.527  0.7595  0.4100 -0.5050
 
              Baa    -0.0008    -0.432    -0.154    -0.144 -0.4929  0.8565 -0.1531
    59 H(1)   Bbb    -0.0007    -0.385    -0.137    -0.128  0.1842  0.2747  0.9437
              Bcc     0.0015     0.817     0.292     0.273  0.8503  0.4370 -0.2932
 
              Baa    -0.0011    -0.582    -0.208    -0.194 -0.0981 -0.2218  0.9701
    60 H(1)   Bbb    -0.0008    -0.431    -0.154    -0.144  0.1659  0.9576  0.2357
              Bcc     0.0019     1.013     0.362     0.338  0.9813 -0.1841  0.0572
 
              Baa    -0.0009    -0.493    -0.176    -0.164 -0.0170 -0.2298  0.9731
    61 H(1)   Bbb    -0.0007    -0.383    -0.137    -0.128  0.7149 -0.6832 -0.1489
              Bcc     0.0016     0.875     0.312     0.292  0.6990  0.6931  0.1759
 
              Baa    -0.0020    -1.054    -0.376    -0.351 -0.0559 -0.0058  0.9984
    62 H(1)   Bbb    -0.0015    -0.817    -0.292    -0.273  0.8371 -0.5452  0.0436
              Bcc     0.0035     1.871     0.668     0.624  0.5441  0.8383  0.0353
 
              Baa    -0.0016    -0.879    -0.314    -0.293  0.0953 -0.6358  0.7659
    63 H(1)   Bbb    -0.0013    -0.711    -0.254    -0.237  0.7965 -0.4128 -0.4417
              Bcc     0.0030     1.590     0.567     0.530  0.5970  0.6522  0.4671
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Aug 28 18:27:30 2021, MaxMem= 16106127360 cpu:              31.0 elap:               5.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.14305810D-04-5.78048231D-04 2.81598286D-01
 Polarizability= 4.22616738D+02 2.95663908D+01 3.16039506D+02
                 8.19782730D-04-1.59480021D-03 2.42463211D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0015    0.0000        0.0433    0.0438       18.9129   18.9209
 2     -0.0530   -0.0438        0.0007    0.0023      -83.9990  -83.9962
 3    -18.9071  -18.9209      128.3522  128.3480       -0.0014   -0.0023
 4     -0.0031   -0.0023       -0.0000    0.0000      -18.9252  -18.9209
 5    -44.3525  -44.3518       18.9269   18.9209        0.0378    0.0438
 6     -0.0084    0.0023       -0.0261   -0.0438        0.0002    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1316   -0.1315       56.7627   56.7627
 2     -0.0069   -0.0069       -0.0000    0.0000       56.7627   56.7627
 3     -0.0069   -0.0069       -0.1314   -0.1315       -0.0000    0.0000
 4     -0.1312   -0.1315        0.0068    0.0069     -251.9885 -251.9885
 5    -56.7626  -56.7627      385.0440  385.0440       -0.0069   -0.0069
 6   -133.0555 -133.0555       56.7627   56.7627        0.1318    0.1315
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0987    0.0000       -0.6322   -0.1754      -77.7442  -75.6835
 2      0.2022    0.1754       -0.1131   -0.0092      335.1742  335.9847
 3     78.2618   75.6835     -508.1151 -513.3920       -2.8469    0.0092
 4     -0.0174    0.0092        0.0084    0.0000       75.4510   75.6835
 5    177.5257  177.4073      -74.9232  -75.6835       -0.2344   -0.1754
 6      0.0880   -0.0092        0.3490    0.1754       17.5488    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3063    0.0000      -51.4691  -50.9885      289.2029  290.9833
 2     49.8300   50.9885        4.8816   -1.9067      207.8731  118.7977
 3    477.2504 -290.9833     2651.5139 1076.7082     -891.9348    1.9067
 4      1.5629    1.9067        0.0923    0.0000     -280.8467 -290.9833
 5  -1167.5304-1195.5060      366.5560  290.9833      -82.3921  -50.9885
 6     56.0249   -1.9067      159.6926   50.9885    10612.8383    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3150   -0.2964        0.6007    1.0604      109.5568  110.5943
 2     -0.2851   -0.1468       -0.0749   -0.0935      110.8022  110.5943
 3      1.0992   -0.1468        3.6033    1.0604      355.4332  101.7435
 4      0.8363    1.1539       -0.3262   -0.1496     -175.5787 -117.9718
 5      8.2015   -8.8508      -17.3752  -54.0732      -20.3719    0.1496
 6    173.0661  172.0450       15.8058    8.8508       -3.6247   -1.1539
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7416   -1.2531   -0.0041   -0.0028    0.0006    1.8250
 Low frequencies ---    7.7818   13.3987   28.8642
 Diagonal vibrational polarizability:
       80.1589347      46.6817003     340.2740556
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --      7.7785                13.3975                28.8604
 Red. masses --      6.1932                 6.0322                11.8290
 Frc consts  --      0.0002                 0.0006                 0.0058
 IR Inten    --      0.6721                 0.1011                 0.0797
 RamAct Fr= 1--     45.1627                 0.8753                 2.2738
  Dep-P Fr= 1--      0.1462                 0.2358                 0.7442
  Dep-U Fr= 1--      0.2552                 0.3816                 0.8533
 Alpha2 Fr= 1--      0.7049                 0.0108                 0.0002
 Beta2  Fr= 1--      1.9206                 0.0557                 0.3234
 AlphaG Fr= 1--   1419.7569                12.9057                 0.0529
 Gamma2 Fr= 1--   4522.0991                -4.1741               460.8640
 Delta2 Fr= 1--   -108.3963                -1.4663                 5.3900
 Raman1 Fr= 1--     180.651                  3.501                  9.095
 ROA1   Fr= 1--  430652.835               -447.639              44415.419
 CID1   Fr= 1--    2383.895               -127.852               4883.365
 Raman2 Fr= 1--      23.047                  0.668                  3.881
 ROA2   Fr= 1--  109397.550                -88.449              11017.615
 CID2   Fr= 1--    4746.753               -132.386               2839.177
 Raman3 Fr= 1--      46.094                  1.336                  7.761
 ROA3   Fr= 1--  430652.835               -447.639              44415.419
 CID3   Fr= 1--    9343.000               -335.001               5722.802
 RC180  Fr= 1--      -0.490                 -0.237                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.06    -0.08   0.05  -0.09    -0.07   0.07  -0.01
     2   6     0.00  -0.00  -0.03     0.00   0.01  -0.08    -0.01   0.03  -0.02
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.03
     4   6     0.00   0.00  -0.04     0.00  -0.00   0.06    -0.02  -0.01   0.07
     5   6     0.01   0.01  -0.10     0.01   0.00   0.02    -0.04   0.01   0.07
     6   6    -0.02  -0.05  -0.11    -0.08   0.04  -0.01    -0.08   0.06   0.05
     7   6     0.02   0.04  -0.08     0.06  -0.01  -0.06     0.01   0.00   0.01
     8   8     0.00   0.00  -0.04     0.00  -0.01   0.13    -0.03  -0.03   0.09
     9  29    -0.00  -0.00   0.02    -0.00   0.00   0.12    -0.01  -0.04   0.00
    10   8    -0.00  -0.01   0.08    -0.00  -0.00   0.09     0.01  -0.03   0.06
    11   6    -0.00  -0.01   0.06    -0.00   0.00   0.02     0.01  -0.01   0.05
    12   6    -0.01  -0.02   0.11    -0.01   0.01  -0.04     0.04   0.00   0.03
    13   9     0.02   0.04   0.12     0.08   0.00  -0.09     0.29   0.12  -0.07
    14   6     0.02   0.03  -0.16     0.03  -0.02   0.08    -0.04  -0.02   0.12
    15   6     0.02   0.05  -0.13     0.06  -0.01  -0.13    -0.00   0.02  -0.02
    16   6     0.04   0.10  -0.06     0.14  -0.05  -0.04     0.06  -0.04   0.01
    17   8    -0.00  -0.00  -0.04    -0.00   0.01   0.13    -0.03  -0.03  -0.09
    18   6    -0.00  -0.00  -0.04    -0.00   0.00   0.06    -0.02  -0.01  -0.07
    19   6    -0.01  -0.01  -0.10    -0.01  -0.00   0.02    -0.04   0.00  -0.07
    20   6    -0.02  -0.04  -0.08    -0.06   0.01  -0.06     0.00   0.00  -0.01
    21   6    -0.00   0.00  -0.03    -0.00  -0.01  -0.08    -0.01   0.03   0.02
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.03
    23   6     0.02   0.06  -0.06     0.08  -0.05  -0.09    -0.07   0.07   0.01
    24   6     0.02   0.05  -0.11     0.08  -0.04  -0.01    -0.08   0.06  -0.05
    25   6    -0.04  -0.10  -0.06    -0.14   0.05  -0.04     0.06  -0.04  -0.01
    26   6    -0.02  -0.05  -0.13    -0.06   0.01  -0.13    -0.00   0.02   0.02
    27   6    -0.02  -0.03  -0.16    -0.03   0.02   0.08    -0.04  -0.02  -0.12
    28   6     0.00   0.01   0.06     0.00  -0.00   0.02     0.01  -0.01  -0.05
    29   6     0.01   0.02   0.11     0.01  -0.01  -0.04     0.04   0.00  -0.03
    30   9    -0.02  -0.04   0.12    -0.08  -0.00  -0.09     0.29   0.12   0.08
    31   8     0.00   0.01   0.08     0.00   0.00   0.09     0.01  -0.03  -0.06
    32   9     0.02   0.07   0.09     0.08  -0.03  -0.11    -0.17  -0.02   0.16
    33   9     0.01   0.03   0.18     0.02  -0.01   0.01     0.03  -0.06  -0.29
    34   9    -0.01  -0.03   0.18    -0.02   0.01   0.01     0.03  -0.06   0.29
    35   9    -0.02  -0.07   0.09    -0.08   0.03  -0.11    -0.17  -0.02  -0.16
    36   1     0.02   0.06  -0.16     0.09  -0.04  -0.04    -0.09   0.07  -0.05
    37   1     0.03   0.09  -0.11     0.12  -0.05   0.04    -0.11   0.07  -0.08
    38   1     0.02   0.07  -0.09     0.09  -0.05  -0.15    -0.07   0.09   0.05
    39   1     0.03   0.10  -0.03     0.13  -0.06  -0.08    -0.09   0.08   0.01
    40   1    -0.01  -0.01   0.00    -0.02  -0.01  -0.14     0.01   0.03   0.06
    41   1    -0.04  -0.10  -0.02    -0.14   0.06   0.01     0.06  -0.06  -0.04
    42   1    -0.06  -0.13  -0.10    -0.18   0.07  -0.02     0.07  -0.06  -0.04
    43   1    -0.05  -0.12  -0.04    -0.17   0.06  -0.10     0.08  -0.04   0.03
    44   1    -0.01  -0.00  -0.15    -0.00  -0.01  -0.15    -0.04   0.05   0.03
    45   1    -0.03  -0.06  -0.11    -0.08   0.02  -0.19     0.02   0.03   0.06
    46   1    -0.03  -0.08  -0.17    -0.09   0.03  -0.11     0.01   0.01   0.01
    47   1    -0.01  -0.01  -0.17     0.01   0.00   0.13    -0.08  -0.02  -0.15
    48   1    -0.02  -0.03  -0.20    -0.03   0.01   0.04    -0.06  -0.00  -0.10
    49   1    -0.03  -0.08  -0.15    -0.09   0.04   0.10    -0.01  -0.05  -0.13
    50   1     0.06   0.13  -0.10     0.18  -0.07  -0.02     0.07  -0.06   0.04
    51   1     0.04   0.10  -0.02     0.14  -0.06   0.01     0.07  -0.06   0.04
    52   1     0.05   0.12  -0.04     0.17  -0.06  -0.10     0.08  -0.04  -0.03
    53   1     0.03   0.08  -0.17     0.09  -0.03  -0.11     0.01   0.01  -0.01
    54   1     0.03   0.06  -0.11     0.08  -0.02  -0.19     0.02   0.03  -0.06
    55   1     0.01   0.00  -0.15     0.00   0.01  -0.15    -0.04   0.05  -0.03
    56   1    -0.02  -0.07  -0.09    -0.09   0.05  -0.15    -0.07   0.09  -0.05
    57   1    -0.03  -0.10  -0.03    -0.13   0.06  -0.08    -0.09   0.09  -0.01
    58   1    -0.03  -0.09  -0.11    -0.12   0.06   0.04    -0.11   0.07   0.08
    59   1    -0.02  -0.06  -0.16    -0.09   0.04  -0.04    -0.10   0.07   0.05
    60   1     0.01   0.01   0.00     0.02   0.01  -0.14     0.01   0.03  -0.06
    61   1     0.02   0.03  -0.20     0.03  -0.01   0.04    -0.06  -0.00   0.10
    62   1     0.01   0.01  -0.17    -0.01  -0.00   0.13    -0.08  -0.02   0.15
    63   1     0.03   0.08  -0.15     0.09  -0.04   0.10    -0.01  -0.05   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --     33.5900                40.2188                45.9201
 Red. masses --     13.4858                 6.6848                 5.0011
 Frc consts  --      0.0090                 0.0064                 0.0062
 IR Inten    --      0.2241                 0.6083                 0.1682
 RamAct Fr= 1--      1.1104                15.8752                 5.1979
  Dep-P Fr= 1--      0.1799                 0.7406                 0.7406
  Dep-U Fr= 1--      0.3050                 0.8510                 0.8509
 Alpha2 Fr= 1--      0.0159                 0.0025                 0.0008
 Beta2  Fr= 1--      0.0564                 2.2516                 0.7372
 AlphaG Fr= 1--     34.2381                 0.4278                 0.1999
 Gamma2 Fr= 1--    123.3348              4287.5748              1369.9649
 Delta2 Fr= 1--     -2.9039                49.9937                16.7315
 Raman1 Fr= 1--       4.442                 63.501                 20.792
 ROA1   Fr= 1--   11747.212             413206.977             132052.041
 CID1   Fr= 1--    2644.748               6507.102               6351.238
 Raman2 Fr= 1--       0.677                 27.020                  8.846
 ROA2   Fr= 1--    2983.266             102501.844              32745.306
 CID2   Fr= 1--    4404.296               3793.596               3701.633
 Raman3 Fr= 1--       1.355                 54.039                 17.692
 ROA3   Fr= 1--   11747.212             413206.977             132052.041
 CID3   Fr= 1--    8671.402               7646.401               7463.791
 RC180  Fr= 1--      -0.390                  0.702                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.06     0.08  -0.10   0.05     0.04  -0.05   0.07
     2   6    -0.00  -0.02   0.05     0.00  -0.06   0.05    -0.00   0.01   0.08
     3   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.03
     4   6    -0.00  -0.01  -0.03     0.04   0.02  -0.04    -0.02  -0.01  -0.03
     5   6    -0.00  -0.01   0.02     0.08  -0.02  -0.02    -0.03   0.01  -0.05
     6   6     0.05  -0.01   0.05     0.13  -0.07   0.00     0.02  -0.06  -0.02
     7   6    -0.03  -0.02   0.06     0.01  -0.05   0.03    -0.05   0.05   0.04
     8   8    -0.00  -0.00  -0.07     0.05   0.07  -0.07    -0.02  -0.03  -0.07
     9  29    -0.00  -0.00  -0.08     0.01   0.09  -0.00    -0.00  -0.05   0.00
    10   8     0.00  -0.01  -0.06    -0.03   0.07  -0.05     0.02  -0.04  -0.03
    11   6    -0.00  -0.01  -0.01    -0.03   0.03  -0.02     0.02  -0.02  -0.00
    12   6     0.02  -0.00   0.00    -0.08   0.00  -0.02     0.05   0.00  -0.05
    13   9     0.29   0.14  -0.11     0.00   0.02  -0.06     0.10  -0.01  -0.09
    14   6    -0.02  -0.01   0.02     0.11   0.00  -0.06    -0.07   0.03  -0.13
    15   6    -0.03  -0.03   0.11     0.03  -0.10   0.08    -0.07   0.08   0.06
    16   6    -0.09  -0.02   0.04    -0.06  -0.01   0.02    -0.11   0.12   0.04
    17   8     0.00  -0.00  -0.07     0.05   0.07   0.07    -0.02  -0.03   0.07
    18   6     0.00   0.01  -0.03     0.04   0.02   0.04    -0.02  -0.01   0.03
    19   6     0.00   0.01   0.02     0.08  -0.02   0.02    -0.03   0.01   0.05
    20   6     0.03   0.02   0.06     0.01  -0.05  -0.03    -0.05   0.05  -0.04
    21   6     0.00   0.02   0.05     0.00  -0.06  -0.05    -0.00   0.01  -0.08
    22   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.03
    23   6    -0.05   0.01   0.06     0.08  -0.10  -0.05     0.04  -0.05  -0.07
    24   6    -0.05   0.01   0.04     0.13  -0.07  -0.00     0.02  -0.06   0.02
    25   6     0.09   0.02   0.04    -0.06  -0.01  -0.02    -0.11   0.12  -0.04
    26   6     0.03   0.03   0.11     0.03  -0.10  -0.08    -0.07   0.08  -0.06
    27   6     0.02   0.01   0.02     0.11   0.00   0.06    -0.07   0.03   0.13
    28   6     0.00   0.01  -0.01    -0.03   0.03   0.02     0.02  -0.02   0.00
    29   6    -0.01   0.00  -0.00    -0.08   0.00   0.02     0.05   0.00   0.05
    30   9    -0.28  -0.14  -0.11    -0.00   0.02   0.06     0.10  -0.01   0.09
    31   8     0.00   0.00  -0.06    -0.03   0.07   0.05     0.02  -0.04   0.03
    32   9     0.21   0.06  -0.21    -0.15  -0.05   0.09     0.01   0.06   0.09
    33   9     0.01   0.07   0.30    -0.12   0.02  -0.08     0.07  -0.02   0.05
    34   9    -0.01  -0.07   0.30    -0.12   0.02   0.08     0.07  -0.02  -0.05
    35   9    -0.21  -0.06  -0.21    -0.16  -0.05  -0.09     0.01   0.06  -0.09
    36   1    -0.06   0.01   0.08     0.16  -0.10  -0.02     0.01  -0.05   0.04
    37   1    -0.08  -0.00   0.02     0.17  -0.05   0.03     0.04  -0.10   0.06
    38   1    -0.05   0.02   0.10     0.09  -0.14  -0.09     0.05  -0.04  -0.11
    39   1    -0.07   0.01   0.04     0.09  -0.09  -0.04     0.09  -0.10  -0.07
    40   1     0.02   0.02   0.06    -0.04  -0.08  -0.08    -0.00   0.02  -0.14
    41   1     0.09   0.01   0.00    -0.07   0.03   0.01    -0.10   0.10  -0.02
    42   1     0.10   0.03   0.04    -0.05   0.00  -0.01    -0.15   0.15   0.01
    43   1     0.11   0.03   0.06    -0.10  -0.03  -0.06    -0.11   0.15  -0.10
    44   1    -0.01   0.03   0.13     0.08  -0.13  -0.09    -0.03   0.04  -0.06
    45   1     0.05   0.03   0.14    -0.01  -0.13  -0.12    -0.07   0.11  -0.12
    46   1     0.06   0.03   0.11     0.04  -0.09  -0.07    -0.10   0.11  -0.03
    47   1    -0.01   0.01  -0.01     0.16   0.03   0.10    -0.05  -0.01   0.18
    48   1     0.01   0.02   0.05     0.14  -0.04   0.03    -0.08   0.05   0.13
    49   1     0.05   0.02  -0.00     0.07   0.04   0.07    -0.11   0.08   0.14
    50   1    -0.10  -0.03   0.04    -0.05   0.00   0.01    -0.15   0.15  -0.01
    51   1    -0.09  -0.01   0.00    -0.07   0.03  -0.01    -0.10   0.10   0.02
    52   1    -0.11  -0.03   0.06    -0.10  -0.03   0.06    -0.11   0.15   0.10
    53   1    -0.06  -0.03   0.11     0.04  -0.09   0.07    -0.10   0.11   0.03
    54   1    -0.05  -0.03   0.14    -0.01  -0.13   0.12    -0.07   0.11   0.12
    55   1     0.00  -0.03   0.13     0.08  -0.13   0.09    -0.03   0.04   0.06
    56   1     0.05  -0.02   0.10     0.09  -0.14   0.09     0.05  -0.04   0.11
    57   1     0.07  -0.00   0.04     0.09  -0.10   0.04     0.09  -0.10   0.07
    58   1     0.08   0.00   0.02     0.17  -0.05  -0.03     0.04  -0.10  -0.06
    59   1     0.06  -0.01   0.08     0.16  -0.10   0.02     0.01  -0.05  -0.04
    60   1    -0.02  -0.02   0.06    -0.04  -0.08   0.08    -0.00   0.02   0.14
    61   1    -0.02  -0.02   0.05     0.14  -0.04  -0.03    -0.08   0.05  -0.13
    62   1     0.01  -0.01  -0.01     0.16   0.03  -0.10    -0.05  -0.01  -0.18
    63   1    -0.06  -0.02   0.00     0.07   0.04  -0.07    -0.11   0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --     51.4995                61.7855                94.3952
 Red. masses --      4.9455                 5.2323                 7.2933
 Frc consts  --      0.0077                 0.0118                 0.0383
 IR Inten    --      0.3302                 0.0877                 0.0150
 RamAct Fr= 1--      0.2416                 2.6868              1624.0223
  Dep-P Fr= 1--      0.7042                 0.7268                 0.1285
  Dep-U Fr= 1--      0.8264                 0.8418                 0.2277
 Alpha2 Fr= 1--      0.0002                 0.0011                26.5027
 Beta2  Fr= 1--      0.0333                 0.3770                61.6289
 AlphaG Fr= 1--      2.2224                 0.3169             54849.1133
 Gamma2 Fr= 1--     78.2757              1118.0687            157025.0048
 Delta2 Fr= 1--      0.6172                11.4145             -3855.0152
 Raman1 Fr= 1--       0.966                 10.747               6496.089
 ROA1   Fr= 1--    7534.216             107699.855           14951039.971
 CID1   Fr= 1--    7795.650              10021.072               2301.545
 Raman2 Fr= 1--       0.399                  4.523                739.547
 ROA2   Fr= 1--    1873.678              26742.331            3799440.236
 CID2   Fr= 1--    4691.720               5911.910               5137.522
 Raman3 Fr= 1--       0.799                  9.047               1479.094
 ROA3   Fr= 1--    7534.216             107699.855           14951039.971
 CID3   Fr= 1--    9432.898              11904.569              10108.239
 RC180  Fr= 1--       0.653                  0.684                 -0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11  -0.07    -0.07  -0.09   0.03    -0.01  -0.09   0.02
     2   6    -0.00   0.02  -0.11    -0.00  -0.02   0.08     0.03  -0.05   0.05
     3   6     0.00   0.02  -0.11    -0.00  -0.02   0.15     0.03  -0.03   0.08
     4   6    -0.00   0.01  -0.04     0.00  -0.01   0.12     0.04  -0.03   0.06
     5   6    -0.01   0.00   0.03     0.01  -0.01   0.03     0.06  -0.04   0.04
     6   6    -0.01   0.10   0.03    -0.06  -0.08  -0.00     0.01  -0.08   0.01
     7   6     0.00  -0.04  -0.04     0.05   0.02   0.02     0.08  -0.03   0.01
     8   8    -0.00  -0.00  -0.01     0.01   0.00   0.10     0.03  -0.02   0.02
     9  29     0.00   0.00  -0.05    -0.00   0.02  -0.00    -0.00  -0.00  -0.09
    10   8     0.00   0.00  -0.04    -0.01   0.01   0.08     0.03  -0.02  -0.11
    11   6     0.00   0.01  -0.05    -0.01  -0.00   0.10     0.03  -0.02  -0.01
    12   6     0.01  -0.00   0.05    -0.03  -0.00  -0.00     0.11   0.01   0.01
    13   9    -0.04   0.07   0.10    -0.01  -0.09  -0.05     0.11   0.06   0.03
    14   6    -0.01  -0.04   0.13     0.05   0.02  -0.02     0.11  -0.03   0.03
    15   6    -0.00  -0.04  -0.00     0.06   0.03  -0.09     0.10  -0.05  -0.07
    16   6     0.01  -0.14  -0.06     0.13   0.10   0.06     0.16  -0.01   0.04
    17   8     0.00   0.00  -0.01     0.01   0.00  -0.10    -0.03   0.02   0.02
    18   6     0.00  -0.01  -0.04     0.00  -0.01  -0.12    -0.04   0.03   0.06
    19   6     0.01  -0.00   0.03     0.01  -0.01  -0.03    -0.06   0.04   0.04
    20   6    -0.00   0.04  -0.04     0.05   0.02  -0.02    -0.08   0.03   0.01
    21   6     0.00  -0.02  -0.11    -0.00  -0.02  -0.08    -0.03   0.05   0.05
    22   6    -0.00  -0.02  -0.11    -0.00  -0.02  -0.15    -0.03   0.03   0.08
    23   6     0.02  -0.11  -0.07    -0.07  -0.09  -0.03     0.01   0.09   0.02
    24   6     0.01  -0.10   0.03    -0.06  -0.08   0.00    -0.01   0.08   0.01
    25   6    -0.01   0.14  -0.06     0.13   0.10  -0.06    -0.16   0.01   0.04
    26   6     0.00   0.04  -0.00     0.06   0.03   0.09    -0.10   0.05  -0.07
    27   6     0.01   0.04   0.13     0.05   0.02   0.02    -0.11   0.03   0.03
    28   6    -0.00  -0.01  -0.05    -0.01  -0.00  -0.10    -0.03   0.02  -0.01
    29   6    -0.01   0.00   0.05    -0.03  -0.00   0.00    -0.11  -0.01   0.01
    30   9     0.04  -0.07   0.10    -0.01  -0.09   0.05    -0.11  -0.06   0.03
    31   8    -0.00  -0.00  -0.04    -0.01   0.01  -0.08    -0.03   0.02  -0.11
    32   9    -0.04   0.08   0.08    -0.05   0.06   0.02    -0.13  -0.07   0.03
    33   9    -0.01   0.02   0.09    -0.05   0.03   0.06    -0.18   0.05  -0.01
    34   9     0.01  -0.02   0.09    -0.05   0.03  -0.06     0.18  -0.05  -0.01
    35   9     0.04  -0.08   0.08    -0.05   0.06  -0.02     0.13   0.07   0.03
    36   1     0.01  -0.11   0.08    -0.07  -0.08   0.08    -0.01   0.08  -0.03
    37   1     0.01  -0.16   0.04    -0.10  -0.12  -0.03     0.02   0.08   0.04
    38   1     0.02  -0.12  -0.08    -0.07  -0.09   0.02     0.02   0.10  -0.02
    39   1     0.03  -0.17  -0.10    -0.11  -0.13  -0.08     0.05   0.10   0.05
    40   1    -0.01  -0.01  -0.17     0.00  -0.02  -0.10    -0.03   0.05   0.05
    41   1    -0.01   0.14  -0.08     0.14   0.09  -0.13    -0.16   0.01   0.09
    42   1    -0.02   0.19   0.01     0.16   0.13  -0.01    -0.19  -0.01   0.02
    43   1    -0.01   0.18  -0.12     0.16   0.12  -0.07    -0.18  -0.00   0.02
    44   1     0.00  -0.01   0.01     0.00  -0.02   0.13    -0.05   0.06  -0.10
    45   1    -0.00   0.07  -0.05     0.08   0.04   0.10    -0.11   0.07  -0.12
    46   1    -0.00   0.09   0.05     0.10   0.06   0.13    -0.16   0.05  -0.07
    47   1     0.02  -0.00   0.17     0.01  -0.01   0.00    -0.08   0.02   0.06
    48   1     0.02   0.04   0.17     0.05   0.02   0.10    -0.12   0.04  -0.03
    49   1     0.01   0.12   0.13     0.11   0.07  -0.01    -0.16   0.00   0.05
    50   1     0.02  -0.19   0.01     0.16   0.13   0.01     0.19   0.01   0.02
    51   1     0.01  -0.14  -0.08     0.14   0.09   0.13     0.16  -0.01   0.09
    52   1     0.01  -0.18  -0.12     0.16   0.12   0.07     0.18   0.00   0.02
    53   1     0.00  -0.09   0.05     0.10   0.06  -0.13     0.16  -0.06  -0.07
    54   1     0.00  -0.07  -0.05     0.08   0.04  -0.10     0.11  -0.07  -0.11
    55   1    -0.00   0.01   0.01     0.00  -0.02  -0.13     0.05  -0.06  -0.10
    56   1    -0.02   0.12  -0.08    -0.07  -0.09  -0.02    -0.01  -0.10  -0.02
    57   1    -0.03   0.17  -0.10    -0.11  -0.13   0.08    -0.05  -0.10   0.05
    58   1    -0.01   0.16   0.04    -0.10  -0.12   0.03    -0.02  -0.08   0.04
    59   1    -0.01   0.11   0.08    -0.07  -0.08  -0.08     0.01  -0.08  -0.03
    60   1     0.01   0.01  -0.17     0.00  -0.02   0.10     0.03  -0.05   0.05
    61   1    -0.02  -0.04   0.17     0.05   0.02  -0.10     0.12  -0.04  -0.03
    62   1    -0.02   0.00   0.17     0.02  -0.01  -0.00     0.08  -0.02   0.06
    63   1    -0.01  -0.12   0.12     0.11   0.07   0.01     0.16  -0.00   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --     99.8562               112.6740               116.2184
 Red. masses --      5.9577                10.1621                 6.5481
 Frc consts  --      0.0350                 0.0760                 0.0521
 IR Inten    --      0.0130                 0.4153                 0.0022
 RamAct Fr= 1--     89.9989                12.9626               324.3026
  Dep-P Fr= 1--      0.5078                 0.7284                 0.1462
  Dep-U Fr= 1--      0.6735                 0.8429                 0.2552
 Alpha2 Fr= 1--      0.4284                 0.0048                 5.0614
 Beta2  Fr= 1--     10.1029                 1.8209                13.7911
 AlphaG Fr= 1--   2325.2516                 3.5478              9673.9138
 Gamma2 Fr= 1--  33202.0337              3540.9385             22145.4628
 Delta2 Fr= 1--    147.0600                41.2256              -819.6774
 Raman1 Fr= 1--     359.996                 51.850               1297.210
 ROA1   Fr= 1-- 3192101.156             341249.316            2099734.757
 CID1   Fr= 1--    8867.055               6581.426               1618.654
 Raman2 Fr= 1--     121.235                 21.851                165.493
 ROA2   Fr= 1--  795672.329              84652.720             538048.527
 CID2   Fr= 1--    6563.057               3874.073               3251.190
 Raman3 Fr= 1--     242.470                 43.702                330.986
 ROA3   Fr= 1-- 3192101.156             341249.316            2099734.757
 CID3   Fr= 1--   13164.931               7808.519               6343.885
 RC180  Fr= 1--       0.347                  0.686                 -0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.00  -0.02     0.06   0.10  -0.03    -0.07  -0.02  -0.02
     2   6     0.03  -0.02  -0.06     0.04   0.04  -0.06    -0.04  -0.03  -0.02
     3   6     0.03   0.02  -0.10     0.04   0.01  -0.05    -0.04  -0.08  -0.01
     4   6     0.04   0.02  -0.08     0.02   0.01  -0.07    -0.06  -0.09  -0.01
     5   6     0.06  -0.00  -0.06     0.00   0.02  -0.02    -0.10  -0.06  -0.01
     6   6     0.14   0.01  -0.03     0.06   0.09   0.01    -0.11  -0.04  -0.02
     7   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01    -0.08  -0.03  -0.01
     8   8     0.04   0.01  -0.04     0.02   0.00  -0.13    -0.05  -0.08  -0.00
     9  29     0.00   0.00   0.11     0.03  -0.01   0.00    -0.00   0.00   0.04
    10   8     0.02  -0.01   0.15     0.03  -0.03   0.40    -0.01  -0.11   0.04
    11   6     0.02   0.01   0.02     0.04  -0.02   0.15    -0.02  -0.10   0.01
    12   6     0.06   0.03  -0.00    -0.02  -0.03   0.02     0.06  -0.07  -0.00
    13   9     0.07   0.03  -0.01     0.01  -0.19  -0.05     0.08  -0.05  -0.00
    14   6     0.09   0.00  -0.06    -0.06  -0.01   0.02    -0.18  -0.08  -0.02
    15   6     0.02  -0.09   0.08    -0.02   0.04   0.06    -0.10   0.02  -0.00
    16   6    -0.09  -0.07  -0.05    -0.05  -0.04  -0.04    -0.08  -0.05  -0.02
    17   8    -0.04  -0.01  -0.04     0.02   0.00   0.13     0.05   0.08  -0.00
    18   6    -0.04  -0.02  -0.08     0.03   0.01   0.07     0.05   0.09  -0.01
    19   6    -0.06   0.00  -0.06     0.01   0.02   0.02     0.10   0.06  -0.01
    20   6    -0.00   0.04  -0.02    -0.01   0.02   0.01     0.08   0.03  -0.01
    21   6    -0.03   0.02  -0.06     0.04   0.04   0.06     0.04   0.03  -0.02
    22   6    -0.03  -0.02  -0.10     0.04   0.01   0.05     0.04   0.08  -0.01
    23   6    -0.12   0.00  -0.02     0.06   0.10   0.03     0.07   0.02  -0.02
    24   6    -0.14  -0.01  -0.03     0.06   0.09  -0.01     0.11   0.04  -0.02
    25   6     0.09   0.07  -0.05    -0.05  -0.04   0.04     0.08   0.05  -0.02
    26   6    -0.02   0.09   0.08    -0.02   0.04  -0.06     0.10  -0.03  -0.00
    27   6    -0.09  -0.00  -0.06    -0.05  -0.00  -0.02     0.18   0.08  -0.01
    28   6    -0.02  -0.01   0.02     0.04  -0.02  -0.15     0.01   0.10   0.01
    29   6    -0.06  -0.03  -0.00    -0.02  -0.03  -0.02    -0.06   0.07  -0.00
    30   9    -0.07  -0.03  -0.00     0.01  -0.19   0.05    -0.08   0.06  -0.01
    31   8    -0.02   0.01   0.15     0.03  -0.03  -0.39     0.01   0.11   0.04
    32   9    -0.06  -0.08   0.00    -0.07   0.02   0.02    -0.06   0.00   0.01
    33   9    -0.09  -0.00  -0.02    -0.09   0.05   0.03    -0.12   0.13  -0.02
    34   9     0.09   0.00  -0.02    -0.09   0.04  -0.03     0.13  -0.13  -0.03
    35   9     0.06   0.08   0.00    -0.07   0.02  -0.02     0.07   0.01   0.01
    36   1    -0.16   0.01   0.03     0.06   0.09  -0.07     0.14   0.02  -0.03
    37   1    -0.18  -0.04  -0.07     0.09   0.13   0.01     0.12   0.07  -0.01
    38   1    -0.12   0.03   0.04     0.06   0.10   0.00     0.07  -0.01  -0.02
    39   1    -0.15  -0.02  -0.05     0.08   0.13   0.05     0.05   0.03  -0.01
    40   1     0.00   0.03  -0.04     0.06   0.05   0.08     0.01   0.01  -0.02
    41   1     0.11   0.03  -0.12    -0.06  -0.01   0.08     0.06   0.09  -0.03
    42   1     0.08   0.09  -0.03    -0.04  -0.07  -0.00     0.11   0.06  -0.01
    43   1     0.14   0.11  -0.04    -0.08  -0.07   0.06     0.06   0.03  -0.02
    44   1    -0.08   0.08   0.11     0.03   0.03  -0.08     0.11  -0.03  -0.00
    45   1     0.03   0.13   0.10    -0.03   0.05  -0.11     0.08  -0.07   0.02
    46   1    -0.01   0.11   0.11    -0.07   0.05  -0.05     0.15  -0.04  -0.02
    47   1    -0.16  -0.05  -0.10    -0.04   0.00  -0.01     0.22   0.13  -0.02
    48   1    -0.12   0.04   0.00    -0.07   0.02  -0.09     0.23   0.02  -0.01
    49   1    -0.02  -0.01  -0.09    -0.09  -0.06  -0.00     0.18   0.11  -0.02
    50   1    -0.08  -0.09  -0.03    -0.04  -0.07   0.00    -0.11  -0.06  -0.01
    51   1    -0.11  -0.03  -0.12    -0.06  -0.01  -0.08    -0.07  -0.08  -0.03
    52   1    -0.14  -0.11  -0.04    -0.08  -0.07  -0.06    -0.06  -0.04  -0.02
    53   1     0.00  -0.11   0.11    -0.08   0.05   0.05    -0.15   0.04  -0.02
    54   1    -0.03  -0.13   0.10    -0.03   0.06   0.11    -0.08   0.06   0.02
    55   1     0.08  -0.08   0.11     0.03   0.03   0.08    -0.11   0.02  -0.01
    56   1     0.12  -0.02   0.04     0.06   0.10  -0.01    -0.07   0.01  -0.02
    57   1     0.15   0.02  -0.05     0.07   0.13  -0.05    -0.06  -0.04  -0.01
    58   1     0.18   0.04  -0.07     0.08   0.13  -0.01    -0.13  -0.07  -0.01
    59   1     0.16  -0.01   0.03     0.06   0.09   0.07    -0.14  -0.02  -0.03
    60   1    -0.00  -0.03  -0.04     0.06   0.05  -0.08    -0.02  -0.02  -0.02
    61   1     0.12  -0.04   0.00    -0.07   0.02   0.09    -0.22  -0.02  -0.01
    62   1     0.16   0.05  -0.10    -0.04  -0.00   0.01    -0.21  -0.13  -0.02
    63   1     0.02   0.01  -0.09    -0.10  -0.06   0.00    -0.18  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    116.9284               133.5955               141.3717
 Red. masses --      6.5524                 8.1077                 4.9082
 Frc consts  --      0.0528                 0.0853                 0.0578
 IR Inten    --      1.1688                 0.0025                 0.0632
 RamAct Fr= 1--      0.7079                11.1943              1358.7316
  Dep-P Fr= 1--      0.5146                 0.3190                 0.1360
  Dep-U Fr= 1--      0.6795                 0.4837                 0.2395
 Alpha2 Fr= 1--      0.0033                 0.1084                21.7587
 Beta2  Fr= 1--      0.0802                 0.9024                54.2272
 AlphaG Fr= 1--      5.9135               326.5638             49721.0832
 Gamma2 Fr= 1--     62.9303              2207.7447            184256.8825
 Delta2 Fr= 1--      0.6037               -35.6971             -2875.4321
 Raman1 Fr= 1--       2.832                 44.777               5434.926
 ROA1   Fr= 1--    6060.629             210801.183           17596646.897
 CID1   Fr= 1--    2140.258               4707.788               3237.697
 Raman2 Fr= 1--       0.962                 10.829                650.726
 ROA2   Fr= 1--    1505.498              53271.450            4445168.637
 CID2   Fr= 1--    1564.827               4919.314               6831.087
 Raman3 Fr= 1--       1.924                 21.658               1301.453
 ROA3   Fr= 1--    6060.629             210801.183           17596646.897
 CID3   Fr= 1--    3149.734               9733.143              13520.773
 RC180  Fr= 1--       0.359                 -0.033                 -0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.02    -0.07  -0.07  -0.01    -0.13  -0.03  -0.02
     2   6    -0.07  -0.05  -0.02    -0.10  -0.03  -0.00    -0.08  -0.01   0.00
     3   6    -0.07   0.01  -0.00    -0.09   0.03  -0.02    -0.08   0.02   0.05
     4   6    -0.03   0.03  -0.01    -0.06   0.04   0.04    -0.05   0.04  -0.01
     5   6     0.02  -0.02  -0.01    -0.03   0.00  -0.03    -0.02   0.01   0.02
     6   6     0.02  -0.04  -0.01    -0.05  -0.06  -0.04    -0.04   0.01   0.01
     7   6    -0.03  -0.07  -0.01    -0.07  -0.03  -0.01    -0.04  -0.02  -0.01
     8   8    -0.03   0.05  -0.04    -0.05   0.04   0.21    -0.04   0.06  -0.12
     9  29    -0.03   0.02  -0.00    -0.00  -0.00   0.09    -0.00   0.00  -0.07
    10   8    -0.06  -0.03   0.13    -0.07   0.01  -0.20    -0.06  -0.02   0.11
    11   6    -0.06   0.01   0.06    -0.08   0.03  -0.10    -0.07   0.01   0.08
    12   6     0.04   0.06   0.02    -0.03   0.06  -0.03    -0.03   0.05   0.03
    13   9     0.06   0.08   0.01    -0.06   0.18   0.03    -0.00   0.02   0.01
    14   6     0.10  -0.00  -0.01     0.05   0.04  -0.08     0.02   0.01   0.05
    15   6     0.01  -0.17  -0.01    -0.05  -0.10   0.01    -0.00  -0.11  -0.03
    16   6    -0.05  -0.07  -0.02    -0.13   0.01  -0.02    -0.04   0.00   0.00
    17   8    -0.03   0.05   0.04     0.05  -0.04   0.21     0.04  -0.06  -0.12
    18   6    -0.03   0.02   0.01     0.06  -0.04   0.05     0.04  -0.04  -0.01
    19   6     0.01  -0.02   0.01     0.03  -0.00  -0.03     0.02  -0.01   0.01
    20   6    -0.03  -0.07   0.02     0.07   0.03  -0.01     0.04   0.02  -0.01
    21   6    -0.07  -0.05   0.02     0.10   0.03  -0.00     0.08   0.01   0.00
    22   6    -0.07   0.01   0.00     0.09  -0.03  -0.02     0.08  -0.02   0.05
    23   6    -0.06  -0.07   0.02     0.07   0.07  -0.01     0.13   0.03  -0.02
    24   6     0.01  -0.04   0.01     0.05   0.06  -0.04     0.04  -0.01   0.01
    25   6    -0.06  -0.07   0.02     0.13  -0.01  -0.02     0.04  -0.00   0.00
    26   6     0.01  -0.17   0.01     0.05   0.10   0.01     0.00   0.11  -0.03
    27   6     0.09  -0.00   0.01    -0.05  -0.04  -0.08    -0.02  -0.01   0.05
    28   6    -0.06   0.00  -0.06     0.08  -0.03  -0.11     0.07  -0.01   0.08
    29   6     0.04   0.06  -0.02     0.03  -0.06  -0.03     0.03  -0.05   0.03
    30   9     0.07   0.08  -0.01     0.06  -0.18   0.03     0.00  -0.02   0.01
    31   8    -0.06  -0.04  -0.13     0.07  -0.01  -0.20     0.06   0.02   0.11
    32   9     0.05   0.20  -0.03    -0.00  -0.03   0.00     0.04  -0.14   0.02
    33   9     0.14  -0.01   0.03    -0.03  -0.00   0.01    -0.01  -0.03  -0.01
    34   9     0.13  -0.01  -0.03     0.03   0.00   0.01     0.01   0.03  -0.01
    35   9     0.04   0.20   0.03     0.00   0.03   0.00    -0.04   0.14   0.02
    36   1     0.06  -0.08   0.00     0.04   0.07  -0.08    -0.02   0.04   0.03
    37   1     0.03   0.00   0.01     0.06   0.08  -0.03     0.03  -0.09   0.02
    38   1    -0.06  -0.13   0.04     0.06   0.08   0.00     0.14   0.09  -0.10
    39   1    -0.10  -0.06   0.01     0.06   0.08   0.00     0.22   0.01   0.01
    40   1    -0.10  -0.07   0.02     0.13   0.04   0.02     0.09   0.02  -0.02
    41   1    -0.10   0.03   0.02     0.14  -0.03  -0.04     0.11  -0.19   0.03
    42   1     0.04  -0.09  -0.00     0.13  -0.02  -0.03    -0.15   0.03   0.03
    43   1    -0.13  -0.15   0.05     0.16   0.01   0.02     0.16   0.14  -0.06
    44   1     0.04  -0.20   0.01     0.04   0.08   0.02    -0.05   0.26  -0.06
    45   1    -0.05  -0.22   0.00     0.08   0.15  -0.02     0.07   0.12   0.08
    46   1     0.07  -0.17   0.01     0.00   0.12   0.04    -0.05   0.03  -0.13
    47   1     0.12   0.05   0.00    -0.09  -0.07  -0.10    -0.01  -0.03   0.08
    48   1     0.13  -0.06   0.01    -0.10   0.01  -0.11    -0.03   0.01   0.04
    49   1     0.09   0.02   0.01    -0.05  -0.12  -0.08    -0.05   0.01   0.06
    50   1     0.04  -0.09   0.00    -0.13   0.02  -0.03     0.15  -0.03   0.03
    51   1    -0.10   0.04  -0.02    -0.14   0.03  -0.04    -0.11   0.19   0.03
    52   1    -0.13  -0.15  -0.05    -0.16  -0.01   0.02    -0.16  -0.14  -0.06
    53   1     0.08  -0.17  -0.01    -0.00  -0.12   0.04     0.05  -0.03  -0.13
    54   1    -0.05  -0.22  -0.00    -0.08  -0.15  -0.02    -0.07  -0.12   0.07
    55   1     0.04  -0.20  -0.01    -0.04  -0.08   0.02     0.05  -0.26  -0.06
    56   1    -0.05  -0.13  -0.04    -0.06  -0.08   0.00    -0.14  -0.09  -0.10
    57   1    -0.10  -0.06  -0.01    -0.06  -0.08   0.00    -0.22  -0.01   0.01
    58   1     0.03   0.01  -0.01    -0.06  -0.08  -0.03    -0.03   0.08   0.02
    59   1     0.06  -0.08  -0.00    -0.04  -0.07  -0.08     0.02  -0.04   0.03
    60   1    -0.10  -0.07  -0.02    -0.13  -0.04   0.02    -0.09  -0.02  -0.02
    61   1     0.14  -0.06  -0.01     0.10  -0.01  -0.11     0.03  -0.01   0.04
    62   1     0.13   0.05  -0.00     0.09   0.07  -0.10     0.01   0.03   0.08
    63   1     0.10   0.02  -0.01     0.05   0.12  -0.08     0.05  -0.01   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    161.8765               169.1022               172.5382
 Red. masses --      1.7760                 1.1822                 2.0303
 Frc consts  --      0.0274                 0.0199                 0.0356
 IR Inten    --      0.2515                 0.1299                 0.1993
 RamAct Fr= 1--      0.6395               400.2850                 1.4405
  Dep-P Fr= 1--      0.7464                 0.1512                 0.7412
  Dep-U Fr= 1--      0.8548                 0.2626                 0.8514
 Alpha2 Fr= 1--      0.0000                 6.1695                 0.0002
 Beta2  Fr= 1--      0.0911                17.5224                 0.2044
 AlphaG Fr= 1--      0.0632             15413.8911                 0.3786
 Gamma2 Fr= 1--     64.7762             68661.4019               257.0149
 Delta2 Fr= 1--      0.7610              -729.1675                 1.0758
 Raman1 Fr= 1--       2.558               1601.140                  5.762
 ROA1   Fr= 1--    6242.870            6568161.223              24707.853
 CID1   Fr= 1--    2440.708               4102.178               4287.987
 Raman2 Fr= 1--       1.093                210.269                  2.453
 ROA2   Fr= 1--    1548.541            1653706.985               6159.750
 CID2   Fr= 1--    1416.518               7864.727               2511.296
 Raman3 Fr= 1--       2.186                420.538                  4.906
 ROA3   Fr= 1--    6242.870            6568161.223              24707.853
 CID3   Fr= 1--    2855.312              15618.485               5036.627
 RC180  Fr= 1--       0.710                 -0.475                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.00   0.01    -0.01   0.00  -0.01    -0.00   0.01  -0.03
     2   6     0.01   0.00  -0.02     0.01   0.00  -0.00     0.00   0.01  -0.02
     3   6     0.00   0.01  -0.03     0.01  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.00   0.00   0.02     0.01  -0.01  -0.00     0.00   0.00   0.03
     5   6    -0.00  -0.00  -0.02     0.01   0.00  -0.00     0.01   0.01  -0.02
     6   6    -0.01  -0.02  -0.02     0.03   0.02   0.01     0.01   0.01  -0.02
     7   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01   0.00  -0.01
     8   8    -0.01  -0.01   0.11     0.01  -0.01   0.02    -0.00  -0.01   0.15
     9  29    -0.00  -0.00   0.00    -0.00   0.00   0.02     0.01  -0.01   0.00
    10   8     0.00   0.00   0.04     0.01   0.00  -0.03     0.01  -0.00   0.01
    11   6     0.00   0.01  -0.00     0.01  -0.00  -0.01     0.01   0.00  -0.00
    12   6    -0.00   0.01  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    13   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.03   0.02  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.04
    15   6    -0.02   0.01   0.03     0.01   0.00   0.01    -0.01  -0.01   0.04
    16   6    -0.03  -0.04  -0.02    -0.01   0.03  -0.00    -0.07   0.01  -0.02
    17   8    -0.01  -0.01  -0.11    -0.01   0.01   0.02    -0.00  -0.01  -0.15
    18   6    -0.00   0.00  -0.02    -0.01   0.01  -0.00     0.00   0.00  -0.03
    19   6    -0.00  -0.00   0.01    -0.01  -0.00  -0.00     0.01   0.01   0.02
    20   6    -0.01  -0.01   0.00    -0.01  -0.01  -0.00    -0.01   0.00   0.01
    21   6     0.01   0.00   0.02    -0.01  -0.00  -0.00     0.00   0.01   0.02
    22   6     0.00   0.01   0.03    -0.01   0.00   0.00     0.00   0.01   0.02
    23   6     0.05   0.00  -0.01     0.01  -0.00  -0.01    -0.00   0.01   0.03
    24   6    -0.01  -0.02   0.02    -0.03  -0.02   0.01     0.01   0.01   0.02
    25   6    -0.03  -0.04   0.02     0.01  -0.03  -0.00    -0.07   0.01   0.02
    26   6    -0.02   0.01  -0.03    -0.01  -0.00   0.01    -0.01  -0.01  -0.04
    27   6     0.03   0.02   0.05     0.01   0.01   0.01     0.02   0.02   0.04
    28   6     0.00   0.01   0.00    -0.01   0.00  -0.01     0.01   0.00   0.00
    29   6    -0.00   0.01   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    30   9    -0.00   0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.01   0.00
    31   8     0.00   0.00  -0.04    -0.01  -0.00  -0.03     0.01  -0.00  -0.01
    32   9    -0.00   0.00   0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
    33   9    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    34   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    35   9    -0.00   0.00  -0.00     0.01  -0.03  -0.00     0.00  -0.02  -0.00
    36   1    -0.05   0.01   0.06    -0.05   0.01   0.04     0.03  -0.00  -0.00
    37   1    -0.03  -0.09   0.02    -0.05  -0.06  -0.00     0.03   0.03   0.02
    38   1     0.06   0.05  -0.08     0.02   0.03  -0.06    -0.00  -0.01   0.04
    39   1     0.13  -0.01   0.02     0.06  -0.01   0.00    -0.02   0.01   0.02
    40   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01     0.00   0.01   0.03
    41   1     0.06  -0.24   0.07     0.10  -0.25   0.02    -0.16   0.23   0.03
    42   1    -0.24  -0.01   0.05    -0.21   0.01   0.04     0.13  -0.03  -0.02
    43   1     0.10   0.11  -0.05     0.15   0.14  -0.07    -0.22  -0.16   0.08
    44   1    -0.12   0.28  -0.08    -0.14   0.28  -0.04     0.13  -0.26  -0.00
    45   1     0.04  -0.07   0.23     0.06  -0.10   0.31    -0.08   0.06  -0.31
    46   1     0.01  -0.17  -0.25     0.06  -0.20  -0.23    -0.08   0.15   0.16
    47   1     0.08   0.04   0.09     0.06   0.03   0.04    -0.02  -0.00   0.01
    48   1     0.06  -0.02   0.04     0.03  -0.03  -0.03     0.02   0.03   0.11
    49   1    -0.00   0.07   0.07    -0.03   0.02   0.03     0.08   0.05   0.01
    50   1    -0.24  -0.01  -0.05     0.21  -0.01   0.04     0.14  -0.03   0.02
    51   1     0.05  -0.24  -0.07    -0.10   0.25   0.03    -0.16   0.24  -0.03
    52   1     0.10   0.11   0.05    -0.15  -0.14  -0.07    -0.23  -0.16  -0.08
    53   1     0.01  -0.17   0.24    -0.06   0.19  -0.23    -0.08   0.16  -0.17
    54   1     0.04  -0.07  -0.23    -0.06   0.10   0.30    -0.08   0.07   0.32
    55   1    -0.11   0.27   0.08     0.14  -0.28  -0.04     0.13  -0.26   0.00
    56   1     0.06   0.05   0.08    -0.02  -0.03  -0.06    -0.00  -0.01  -0.05
    57   1     0.13  -0.01  -0.02    -0.06   0.01   0.00    -0.02   0.01  -0.02
    58   1    -0.03  -0.09  -0.02     0.05   0.06  -0.00     0.03   0.03  -0.02
    59   1    -0.05   0.01  -0.06     0.05  -0.01   0.04     0.03  -0.00   0.00
    60   1    -0.01  -0.00  -0.00     0.02   0.01  -0.01     0.00   0.01  -0.03
    61   1     0.06  -0.02  -0.04    -0.03   0.03  -0.03     0.02   0.03  -0.11
    62   1     0.08   0.04  -0.09    -0.06  -0.03   0.04    -0.02  -0.00  -0.01
    63   1    -0.00   0.07  -0.07     0.03  -0.02   0.03     0.08   0.05  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    189.5753               189.8258               207.0869
 Red. masses --      1.2184                 1.1919                 1.9847
 Frc consts  --      0.0258                 0.0253                 0.0501
 IR Inten    --      0.3501                 0.1268                 0.6486
 RamAct Fr= 1--      4.7866                45.5355                23.8085
  Dep-P Fr= 1--      0.2806                 0.2198                 0.7417
  Dep-U Fr= 1--      0.4382                 0.3604                 0.8517
 Alpha2 Fr= 1--      0.0520                 0.5865                 0.0034
 Beta2  Fr= 1--      0.3496                 2.7349                 3.3796
 AlphaG Fr= 1--    150.9578              1794.0033                 0.9897
 Gamma2 Fr= 1--   1123.9311             11405.0421              6015.0453
 Delta2 Fr= 1--     -1.3605               -37.0324                74.7356
 Raman1 Fr= 1--      19.146                182.142                 95.234
 ROA1   Fr= 1--  107853.850            1093699.003             579835.887
 CID1   Fr= 1--    5633.131               6004.646               6088.530
 Raman2 Fr= 1--       4.195                 32.819                 40.555
 ROA2   Fr= 1--   26985.231             274017.270             143763.202
 CID2   Fr= 1--    6432.540               8349.291               3544.861
 Raman3 Fr= 1--       8.390                 65.638                 81.111
 ROA3   Fr= 1--  107853.850            1093699.003             579835.887
 CID3   Fr= 1--   12854.702              16662.475               7148.691
 RC180  Fr= 1--      -0.124                 -0.279                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.01  -0.00     0.02  -0.03  -0.00
     2   6     0.01  -0.01   0.00    -0.01   0.00   0.00     0.02  -0.02  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.02  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.02  -0.00
     5   6    -0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.03  -0.01
     6   6    -0.01  -0.02  -0.00     0.02   0.02   0.01     0.01  -0.03  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.01  -0.00     0.01  -0.02  -0.00
     8   8     0.00   0.00  -0.02    -0.00  -0.00   0.00     0.01  -0.01   0.02
     9  29    -0.00   0.01   0.00     0.00  -0.00   0.01    -0.01   0.05   0.00
    10   8    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.02   0.01
    14   6    -0.00  -0.01  -0.01    -0.02  -0.01   0.02    -0.06  -0.04  -0.02
    15   6    -0.01   0.03   0.01     0.02  -0.04  -0.03    -0.03   0.08   0.00
    16   6     0.01  -0.04  -0.00    -0.00   0.07   0.01     0.05  -0.08  -0.01
    17   8     0.00   0.00   0.02    -0.00   0.00  -0.01     0.01  -0.01  -0.02
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.00
    19   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.03   0.01
    20   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.02   0.00
    21   6     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.02  -0.02   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02   0.00
    23   6     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.03   0.00
    24   6    -0.01  -0.03   0.01    -0.01  -0.01   0.01     0.01  -0.03   0.00
    25   6     0.01  -0.07   0.01    -0.00  -0.04   0.01     0.05  -0.08   0.01
    26   6    -0.03   0.05  -0.03    -0.01   0.02  -0.02    -0.03   0.09  -0.01
    27   6     0.01  -0.00   0.02     0.02   0.01   0.01    -0.06  -0.04   0.02
    28   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.01  -0.00  -0.00
    29   6    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    30   9    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.01
    31   8    -0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.01   0.02  -0.01
    32   9    -0.00   0.02  -0.00    -0.00   0.01  -0.00    -0.01   0.04  -0.00
    33   9     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.02  -0.02   0.00
    34   9     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02  -0.02  -0.00
    35   9    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.01   0.04   0.00
    36   1    -0.03  -0.01   0.04    -0.02  -0.00   0.03     0.00  -0.03   0.00
    37   1    -0.03  -0.06   0.00    -0.02  -0.03   0.00     0.01  -0.04   0.01
    38   1     0.02   0.01  -0.03     0.01   0.01  -0.01     0.02  -0.02  -0.01
    39   1     0.04  -0.03  -0.00     0.02  -0.01   0.00     0.03  -0.03   0.00
    40   1     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.02  -0.00
    41   1     0.02  -0.09   0.02    -0.00  -0.03   0.02     0.08  -0.15   0.01
    42   1     0.01  -0.11  -0.04     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    43   1     0.03  -0.09   0.06    -0.01  -0.05   0.03     0.11  -0.06   0.05
    44   1    -0.02   0.06  -0.03    -0.01   0.03  -0.02     0.03  -0.07   0.03
    45   1     0.01   0.09  -0.06    -0.00   0.04  -0.03    -0.01   0.22  -0.22
    46   1    -0.09   0.06  -0.01    -0.04   0.02  -0.02    -0.16   0.22   0.16
    47   1    -0.34  -0.21  -0.24    -0.17  -0.10  -0.13     0.11   0.02   0.17
    48   1    -0.09   0.15   0.46    -0.03   0.09   0.27    -0.04  -0.08  -0.20
    49   1     0.44   0.05  -0.16     0.27   0.04  -0.09    -0.29  -0.07   0.12
    50   1     0.01  -0.06   0.02    -0.01   0.10  -0.04     0.01  -0.11   0.03
    51   1     0.02  -0.06  -0.01    -0.01   0.07   0.02     0.08  -0.15  -0.01
    52   1     0.03  -0.05  -0.03    -0.01   0.09   0.06     0.11  -0.06  -0.05
    53   1    -0.05   0.04  -0.00     0.08  -0.05  -0.02    -0.16   0.22  -0.16
    54   1     0.01   0.06   0.03    -0.00  -0.08  -0.05    -0.01   0.22   0.22
    55   1    -0.01   0.03   0.01     0.02  -0.06  -0.04     0.03  -0.07  -0.03
    56   1     0.01   0.00   0.02    -0.02  -0.01  -0.03     0.02  -0.02   0.01
    57   1     0.03  -0.02   0.00    -0.04   0.02   0.00     0.03  -0.03  -0.00
    58   1    -0.01  -0.03  -0.00     0.03   0.06   0.01     0.01  -0.04  -0.01
    59   1    -0.02  -0.01  -0.02     0.04   0.01   0.04     0.00  -0.03  -0.00
    60   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.01  -0.02   0.00
    61   1    -0.06   0.09  -0.25     0.07  -0.15   0.47    -0.04  -0.08   0.21
    62   1    -0.20  -0.12   0.13     0.32   0.19  -0.23     0.11   0.02  -0.17
    63   1     0.24   0.02   0.09    -0.46  -0.06  -0.16    -0.30  -0.07  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --    212.8152               216.9552               223.7127
 Red. masses --      1.9881                 3.7531                 3.7085
 Frc consts  --      0.0531                 0.1041                 0.1094
 IR Inten    --      0.1049                 1.9143                 0.2709
 RamAct Fr= 1--    484.3729              1305.8411                12.1723
  Dep-P Fr= 1--      0.1417                 0.2602                 0.7425
  Dep-U Fr= 1--      0.2482                 0.4129                 0.8522
 Alpha2 Fr= 1--      7.6464                15.0393                 0.0016
 Beta2  Fr= 1--     20.0408                89.8674                 1.7289
 AlphaG Fr= 1--  19016.2893              5562.1902                 0.8514
 Gamma2 Fr= 1--  83725.3029            -16755.4701              2326.6701
 Delta2 Fr= 1--   -762.9643              -723.4401                26.5550
 Raman1 Fr= 1--    1937.492               5223.364                 48.689
 ROA1   Fr= 1-- 8013214.225           -1631675.210             224210.091
 CID1   Fr= 1--    4135.870               -312.380               4604.912
 Raman2 Fr= 1--     240.490               1078.409                 20.747
 ROA2   Fr= 1-- 2015510.985            -396343.761              55627.642
 CID2   Fr= 1--    8380.859               -367.526               2681.253
 Raman3 Fr= 1--     480.980               2156.818                 41.494
 ROA3   Fr= 1-- 8013214.225           -1631675.210             224210.091
 CID3   Fr= 1--   16660.197               -756.520               5403.464
 RC180  Fr= 1--      -0.504                 -0.174                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.00     0.01  -0.02   0.03    -0.02   0.00  -0.01
     2   6    -0.01   0.02   0.00    -0.00  -0.02   0.03    -0.01  -0.01  -0.01
     3   6     0.00   0.01  -0.00    -0.01  -0.01   0.00     0.00  -0.02  -0.01
     4   6    -0.00   0.01   0.00     0.01  -0.01  -0.05     0.02  -0.02   0.00
     5   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.01  -0.01
     6   6    -0.01   0.04   0.00     0.06   0.00   0.03    -0.00   0.01  -0.00
     7   6    -0.01   0.02  -0.00     0.01  -0.01   0.01    -0.01  -0.01  -0.01
     8   8    -0.01   0.00   0.00     0.01   0.01  -0.15     0.03   0.03   0.06
     9  29     0.00  -0.00   0.01     0.00   0.00   0.09     0.05   0.12  -0.00
    10   8     0.02  -0.01  -0.01    -0.02   0.01  -0.03    -0.00   0.02   0.00
    11   6     0.02  -0.01  -0.00    -0.03   0.01  -0.04    -0.01  -0.03   0.00
    12   6     0.02  -0.03  -0.00    -0.02   0.03  -0.03     0.01  -0.03   0.00
    13   9     0.02  -0.05  -0.01    -0.05   0.11   0.01     0.02  -0.04  -0.00
    14   6     0.01   0.02   0.02    -0.11  -0.06   0.04    -0.18  -0.05  -0.02
    15   6     0.04  -0.10  -0.01     0.03  -0.03  -0.05     0.03  -0.09  -0.01
    16   6    -0.06   0.10   0.00     0.06   0.05   0.03    -0.05   0.06  -0.00
    17   8     0.01  -0.00   0.00    -0.01  -0.01  -0.15     0.03   0.03  -0.06
    18   6     0.00  -0.01   0.00    -0.01   0.01  -0.05     0.02  -0.02  -0.00
    19   6    -0.00  -0.02  -0.00    -0.00   0.02   0.01    -0.01  -0.01   0.01
    20   6     0.01  -0.02  -0.00    -0.01   0.01   0.01    -0.01  -0.01   0.01
    21   6     0.01  -0.02   0.00     0.00   0.02   0.03    -0.01  -0.01   0.01
    22   6    -0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.02   0.01
    23   6     0.02  -0.03  -0.00    -0.01   0.02   0.03    -0.02   0.00   0.01
    24   6     0.01  -0.04   0.00    -0.06  -0.00   0.03    -0.00   0.01   0.00
    25   6     0.06  -0.10   0.00    -0.06  -0.05   0.03    -0.05   0.06   0.00
    26   6    -0.04   0.10  -0.01    -0.03   0.03  -0.05     0.03  -0.09   0.01
    27   6    -0.01  -0.02   0.02     0.11   0.06   0.04    -0.18  -0.05   0.02
    28   6    -0.02   0.01  -0.00     0.03  -0.01  -0.04    -0.01  -0.02  -0.00
    29   6    -0.02   0.03  -0.00     0.03  -0.03  -0.03     0.01  -0.03  -0.00
    30   9    -0.02   0.05  -0.01     0.05  -0.11   0.01     0.02  -0.04   0.00
    31   8    -0.02   0.01  -0.01     0.02  -0.01  -0.03    -0.00   0.02  -0.00
    32   9    -0.02   0.06  -0.00     0.01  -0.01  -0.01     0.01  -0.00  -0.00
    33   9    -0.01   0.02  -0.00    -0.00   0.01  -0.01     0.04  -0.06   0.01
    34   9     0.01  -0.02  -0.00     0.00  -0.01  -0.01     0.04  -0.06  -0.01
    35   9     0.02  -0.06  -0.00    -0.01   0.01  -0.01     0.01  -0.00   0.00
    36   1     0.00  -0.03   0.01    -0.09   0.02   0.08     0.01   0.00  -0.02
    37   1     0.01  -0.04   0.00    -0.10  -0.05  -0.00     0.01   0.03   0.01
    38   1     0.02  -0.03  -0.01    -0.01   0.06   0.02    -0.02  -0.01   0.03
    39   1     0.02  -0.04  -0.00     0.01   0.00   0.03    -0.04   0.01   0.01
    40   1    -0.00  -0.03  -0.01     0.01   0.02   0.03     0.01  -0.00   0.02
    41   1     0.10  -0.19   0.01    -0.12   0.10   0.06    -0.03   0.02   0.02
    42   1    -0.00  -0.13  -0.04     0.08  -0.12  -0.05    -0.11   0.10   0.06
    43   1     0.13  -0.06   0.06    -0.17  -0.20   0.11    -0.04   0.11  -0.08
    44   1     0.02  -0.06   0.02    -0.02   0.06  -0.06     0.00  -0.02  -0.00
    45   1    -0.01   0.24  -0.23    -0.02   0.04  -0.05    -0.00  -0.18   0.13
    46   1    -0.18   0.24   0.16    -0.07   0.02  -0.06     0.12  -0.17  -0.08
    47   1     0.14   0.05   0.15     0.28   0.18   0.15    -0.32  -0.21  -0.02
    48   1     0.02  -0.08  -0.17     0.21  -0.08  -0.07    -0.29   0.11   0.09
    49   1    -0.21  -0.02   0.10    -0.04   0.13   0.10    -0.11  -0.10  -0.01
    50   1     0.00   0.13  -0.04    -0.08   0.12  -0.05    -0.11   0.10  -0.06
    51   1    -0.10   0.19   0.01     0.12  -0.10   0.06    -0.03   0.02  -0.02
    52   1    -0.13   0.07   0.06     0.17   0.20   0.11    -0.04   0.11   0.08
    53   1     0.18  -0.24   0.16     0.07  -0.02  -0.06     0.12  -0.17   0.08
    54   1     0.01  -0.24  -0.23     0.02  -0.04  -0.06    -0.00  -0.18  -0.13
    55   1    -0.02   0.06   0.02     0.02  -0.06  -0.06     0.00  -0.02   0.00
    56   1    -0.02   0.03  -0.01     0.01  -0.06   0.02    -0.02  -0.01  -0.03
    57   1    -0.02   0.04  -0.00    -0.01  -0.00   0.03    -0.04   0.01  -0.01
    58   1    -0.01   0.05   0.00     0.10   0.05  -0.00     0.01   0.03  -0.01
    59   1    -0.00   0.03   0.01     0.09  -0.02   0.08     0.01   0.00   0.02
    60   1     0.00   0.03  -0.01    -0.01  -0.02   0.03     0.01  -0.00  -0.02
    61   1    -0.02   0.08  -0.17    -0.21   0.09  -0.07    -0.29   0.11  -0.09
    62   1    -0.14  -0.05   0.15    -0.28  -0.18   0.15    -0.32  -0.21   0.02
    63   1     0.21   0.02   0.10     0.04  -0.13   0.10    -0.11  -0.10   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    228.1403               228.6376               232.9474
 Red. masses --      1.1402                 1.2269                 4.4071
 Frc consts  --      0.0350                 0.0378                 0.1409
 IR Inten    --      0.0550                 0.1437                 3.4858
 RamAct Fr= 1--      0.8842               134.0258                22.6216
  Dep-P Fr= 1--      0.4242                 0.1062                 0.7445
  Dep-U Fr= 1--      0.5957                 0.1920                 0.8535
 Alpha2 Fr= 1--      0.0060                 2.3114                 0.0021
 Beta2  Fr= 1--      0.0878                 4.2878                 3.2180
 AlphaG Fr= 1--      8.3930              3917.6223                -0.6210
 Gamma2 Fr= 1--     67.0163              6442.3503              5984.3748
 Delta2 Fr= 1--     -1.4742              -288.7803                57.1281
 Raman1 Fr= 1--       3.537                536.103                 90.486
 ROA1   Fr= 1--    6386.385             609224.659             576328.083
 CID1   Fr= 1--    1805.626               1136.394               6369.232
 Raman2 Fr= 1--       1.054                 51.453                 38.616
 ROA2   Fr= 1--    1620.184             156926.649             143167.971
 CID2   Fr= 1--    1537.858               3049.889               3707.439
 Raman3 Fr= 1--       2.107                102.906                 77.233
 ROA3   Fr= 1--    6386.385             609224.659             576328.083
 CID3   Fr= 1--    3030.938               5920.178               7462.218
 RC180  Fr= 1--       0.191                 -0.616                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.02     0.03  -0.00   0.02    -0.10  -0.01  -0.02
     2   6     0.01   0.01   0.01     0.01   0.00   0.01    -0.03   0.01   0.00
     3   6     0.01   0.00   0.01     0.01  -0.00   0.01    -0.03   0.00   0.04
     4   6     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
     5   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.00    -0.02   0.01   0.01
     6   6    -0.01  -0.01  -0.01    -0.01  -0.02  -0.01    -0.12  -0.02  -0.03
     7   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.04   0.00   0.00
     8   8    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00   0.09  -0.04
     9  29    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.08   0.08  -0.00
    10   8     0.00   0.01  -0.01     0.00   0.01  -0.01     0.01  -0.01  -0.04
    11   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.01  -0.02   0.01
    12   6     0.00   0.00   0.00    -0.00   0.01  -0.00     0.03  -0.05   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.02   0.00     0.05  -0.10  -0.01
    14   6    -0.03   0.01  -0.03    -0.06  -0.00  -0.03     0.12   0.04   0.03
    15   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.08   0.07   0.03
    16   6     0.02  -0.03   0.00     0.03  -0.03   0.00    -0.07  -0.05  -0.02
    17   8     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00   0.09   0.04
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    19   6    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.02   0.01  -0.01
    20   6     0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.04   0.00  -0.00
    21   6     0.01   0.01  -0.01    -0.01  -0.00   0.01    -0.03   0.01  -0.00
    22   6     0.01   0.00  -0.01    -0.01   0.00   0.01    -0.03   0.00  -0.04
    23   6     0.03   0.00  -0.02    -0.03   0.00   0.02    -0.10  -0.01   0.02
    24   6    -0.01  -0.01   0.01     0.01   0.01  -0.00    -0.12  -0.02   0.03
    25   6     0.02  -0.03  -0.00    -0.03   0.03   0.00    -0.07  -0.05   0.02
    26   6     0.01   0.00   0.00    -0.01   0.00  -0.01    -0.08   0.07  -0.03
    27   6    -0.04   0.01   0.03     0.05   0.00  -0.03     0.12   0.03  -0.03
    28   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.01  -0.02  -0.01
    29   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.03  -0.05  -0.01
    30   9     0.00  -0.00  -0.00     0.01  -0.02   0.00     0.05  -0.10   0.01
    31   8     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.01  -0.01   0.04
    32   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00     0.03  -0.06  -0.00
    33   9    -0.00   0.01  -0.00     0.01  -0.01   0.00     0.03  -0.05  -0.00
    34   9    -0.00   0.01   0.00    -0.01   0.01   0.00     0.03  -0.05   0.00
    35   9    -0.00   0.01   0.00    -0.01   0.01  -0.00     0.03  -0.06   0.00
    36   1    -0.04   0.01   0.04     0.03  -0.00  -0.03    -0.15  -0.00   0.13
    37   1    -0.03  -0.06   0.00     0.02   0.05  -0.00    -0.19  -0.07  -0.03
    38   1     0.03   0.03  -0.06    -0.03  -0.02   0.06    -0.10   0.02   0.06
    39   1     0.07  -0.01  -0.01    -0.07   0.02   0.01    -0.11  -0.04  -0.00
    40   1     0.01   0.01  -0.03    -0.01  -0.01   0.03    -0.02   0.01   0.01
    41   1    -0.10   0.27  -0.05     0.08  -0.24   0.05    -0.09  -0.01   0.05
    42   1     0.35  -0.13  -0.11    -0.33   0.12   0.11    -0.05  -0.09  -0.03
    43   1    -0.17  -0.30   0.16     0.14   0.27  -0.15    -0.11  -0.11   0.06
    44   1    -0.07   0.17  -0.02     0.06  -0.15   0.02    -0.11   0.13  -0.04
    45   1     0.04  -0.06   0.19    -0.04   0.06  -0.18    -0.02   0.11  -0.01
    46   1     0.06  -0.12  -0.14    -0.06   0.11   0.12    -0.14   0.05  -0.06
    47   1    -0.00   0.00   0.08     0.03   0.02  -0.07     0.24   0.17   0.01
    48   1    -0.04   0.01  -0.02     0.07  -0.02   0.02     0.21  -0.11  -0.10
    49   1    -0.10   0.01   0.05     0.11   0.01  -0.05     0.05   0.07  -0.00
    50   1     0.32  -0.12   0.11     0.36  -0.13   0.12    -0.04  -0.10   0.04
    51   1    -0.10   0.25   0.04    -0.09   0.26   0.05    -0.09  -0.01  -0.05
    52   1    -0.15  -0.28  -0.15    -0.15  -0.29  -0.16    -0.11  -0.11  -0.06
    53   1     0.05  -0.11   0.13     0.07  -0.12   0.13    -0.13   0.05   0.06
    54   1     0.04  -0.06  -0.18     0.04  -0.07  -0.20    -0.02   0.11   0.00
    55   1    -0.07   0.16   0.02    -0.07   0.16   0.02    -0.11   0.14   0.04
    56   1     0.03   0.03   0.05     0.03   0.02   0.06    -0.10   0.02  -0.06
    57   1     0.06  -0.01   0.01     0.07  -0.02   0.01    -0.11  -0.04   0.00
    58   1    -0.03  -0.06  -0.00    -0.02  -0.06  -0.01    -0.19  -0.07   0.03
    59   1    -0.04   0.01  -0.04    -0.03   0.01  -0.03    -0.15  -0.00  -0.13
    60   1     0.01   0.01   0.03     0.01   0.01   0.03    -0.02   0.01  -0.01
    61   1    -0.03   0.00   0.02    -0.07   0.02   0.02     0.21  -0.11   0.10
    62   1     0.00   0.00  -0.07    -0.03  -0.02  -0.08     0.24   0.17  -0.01
    63   1    -0.09   0.01  -0.05    -0.12  -0.01  -0.05     0.05   0.07  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    236.6287               251.8655               255.6901
 Red. masses --      3.5713                 2.9348                 2.9903
 Frc consts  --      0.1178                 0.1097                 0.1152
 IR Inten    --      2.7494                 5.1001                 0.9391
 RamAct Fr= 1--    696.8588                21.8790               551.9570
  Dep-P Fr= 1--      0.6639                 0.7416                 0.4068
  Dep-U Fr= 1--      0.7980                 0.8516                 0.5784
 Alpha2 Fr= 1--      1.0680                 0.0031                 3.9893
 Beta2  Fr= 1--     92.6852                 3.1054                53.2053
 AlphaG Fr= 1--  -4931.9691                 3.7951             17149.6183
 Gamma2 Fr= 1-- 104373.2115              4563.6180            184851.4114
 Delta2 Fr= 1--   1821.6757                60.2705               742.8824
 Raman1 Fr= 1--    2787.435                 87.516               2207.828
 ROA1   Fr= 1--10078121.925             440035.982           17769507.735
 CID1   Fr= 1--    3615.554               5028.059               8048.412
 Raman2 Fr= 1--    1112.223                 37.264                638.463
 ROA2   Fr= 1-- 2490383.670             109044.667            4430490.815
 CID2   Fr= 1--    2239.105               2926.252               6939.305
 Raman3 Fr= 1--    2224.446                 74.529               1276.926
 ROA3   Fr= 1--10078121.925             440035.982           17769507.735
 CID3   Fr= 1--    4530.622               5904.261              13915.843
 RC180  Fr= 1--       0.596                  0.703                  0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.02    -0.08   0.01  -0.02     0.09  -0.01   0.01
     2   6     0.02  -0.00  -0.03    -0.02   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.02  -0.01  -0.02    -0.01   0.02   0.04     0.01  -0.02  -0.05
     4   6     0.03  -0.02   0.02    -0.00   0.02   0.02     0.02  -0.03  -0.01
     5   6     0.01  -0.00  -0.01    -0.01   0.03   0.02     0.01  -0.03  -0.03
     6   6     0.07   0.03   0.01     0.01   0.03   0.03    -0.01  -0.04  -0.04
     7   6     0.02  -0.01  -0.01     0.00  -0.00   0.02     0.00  -0.00  -0.03
     8   8     0.02  -0.04   0.15    -0.00   0.02  -0.02     0.02  -0.04   0.06
     9  29    -0.00   0.00  -0.07     0.05  -0.04  -0.00    -0.00   0.00  -0.03
    10   8    -0.01   0.02   0.02     0.02  -0.01  -0.05    -0.02  -0.00   0.05
    11   6    -0.01   0.01   0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
    12   6    -0.02   0.02   0.03     0.01   0.02   0.02    -0.03   0.01  -0.00
    13   9    -0.00  -0.01   0.01     0.02  -0.03   0.00    -0.03   0.05   0.01
    14   6    -0.16  -0.02  -0.07    -0.06   0.08  -0.13     0.04  -0.09   0.12
    15   6     0.06  -0.09   0.00     0.02  -0.06   0.03    -0.02   0.06  -0.03
    16   6     0.01   0.01  -0.01     0.04  -0.11   0.01    -0.05   0.11  -0.02
    17   8    -0.02   0.04   0.15    -0.00   0.02   0.02    -0.02   0.04   0.06
    18   6    -0.03   0.02   0.02    -0.00   0.03  -0.02    -0.02   0.03  -0.01
    19   6    -0.01   0.00  -0.01    -0.01   0.03  -0.02    -0.01   0.03  -0.03
    20   6    -0.02   0.01  -0.01     0.00  -0.00  -0.02    -0.00   0.00  -0.03
    21   6    -0.02   0.00  -0.02    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    22   6    -0.02   0.01  -0.02    -0.01   0.02  -0.05    -0.01   0.02  -0.05
    23   6    -0.03  -0.02  -0.02    -0.08   0.01   0.02    -0.08   0.01   0.01
    24   6    -0.07  -0.03   0.01     0.01   0.03  -0.03     0.01   0.04  -0.04
    25   6    -0.01  -0.01  -0.01     0.04  -0.11  -0.01     0.05  -0.11  -0.02
    26   6    -0.06   0.09   0.00     0.02  -0.06  -0.03     0.02  -0.06  -0.03
    27   6     0.16   0.02  -0.07    -0.06   0.08   0.13    -0.03   0.09   0.12
    28   6     0.01  -0.01   0.03     0.02   0.01  -0.02     0.02   0.01  -0.00
    29   6     0.02  -0.02   0.03     0.01   0.02  -0.02     0.03  -0.01  -0.00
    30   9     0.00   0.01   0.01     0.02  -0.03  -0.00     0.03  -0.05   0.01
    31   8     0.01  -0.02   0.02     0.02  -0.01   0.05     0.02   0.00   0.05
    32   9     0.03  -0.08   0.02    -0.00   0.01  -0.01     0.03  -0.05  -0.00
    33   9     0.01  -0.02   0.01    -0.03   0.06  -0.02    -0.01   0.02  -0.01
    34   9    -0.01   0.02   0.01    -0.03   0.06   0.02     0.01  -0.02  -0.01
    35   9    -0.03   0.08   0.02    -0.00   0.01   0.01    -0.03   0.05  -0.00
    36   1    -0.10  -0.01   0.09     0.06  -0.01  -0.08     0.07  -0.01  -0.10
    37   1    -0.11  -0.08  -0.02     0.03   0.12  -0.03     0.03   0.13  -0.04
    38   1    -0.03   0.01  -0.02    -0.09  -0.05   0.11    -0.09  -0.05   0.10
    39   1    -0.01  -0.04  -0.02    -0.18   0.03  -0.01    -0.19   0.03  -0.02
    40   1    -0.02   0.00  -0.03    -0.01   0.02   0.01    -0.02   0.02   0.00
    41   1    -0.06   0.11  -0.03     0.10  -0.26   0.01     0.11  -0.24  -0.01
    42   1     0.13  -0.05  -0.06    -0.08  -0.14  -0.05    -0.04  -0.14  -0.07
    43   1    -0.08  -0.12   0.07     0.14  -0.04   0.03     0.15  -0.05   0.04
    44   1    -0.11   0.15   0.00     0.06  -0.12  -0.03     0.05  -0.11  -0.02
    45   1     0.01   0.13   0.05    -0.03  -0.09  -0.07    -0.03  -0.08  -0.06
    46   1    -0.10   0.06  -0.02     0.05  -0.04  -0.01     0.06  -0.04  -0.01
    47   1     0.25   0.18  -0.10    -0.04  -0.02   0.24    -0.00   0.01   0.23
    48   1     0.26  -0.13  -0.12    -0.08   0.11   0.15    -0.04   0.10   0.17
    49   1     0.15   0.02  -0.07    -0.13   0.19   0.15    -0.09   0.22   0.13
    50   1    -0.13   0.06  -0.06    -0.08  -0.14   0.05     0.04   0.15  -0.07
    51   1     0.06  -0.11  -0.03     0.10  -0.26  -0.01    -0.11   0.24  -0.01
    52   1     0.08   0.12   0.07     0.14  -0.04  -0.03    -0.15   0.05   0.04
    53   1     0.10  -0.06  -0.02     0.05  -0.04   0.01    -0.06   0.04  -0.01
    54   1    -0.01  -0.13   0.05    -0.03  -0.09   0.07     0.03   0.08  -0.06
    55   1     0.11  -0.15   0.00     0.06  -0.12   0.03    -0.05   0.11  -0.02
    56   1     0.03  -0.01  -0.02    -0.09  -0.05  -0.11     0.09   0.05   0.11
    57   1     0.01   0.04  -0.02    -0.18   0.02   0.01     0.19  -0.03  -0.02
    58   1     0.11   0.09  -0.02     0.03   0.12   0.03    -0.03  -0.13  -0.04
    59   1     0.10   0.01   0.09     0.06  -0.01   0.08    -0.07   0.01  -0.10
    60   1     0.02  -0.00  -0.03    -0.01   0.02  -0.01     0.02  -0.02   0.00
    61   1    -0.26   0.13  -0.12    -0.08   0.11  -0.15     0.04  -0.10   0.17
    62   1    -0.25  -0.18  -0.10    -0.04  -0.02  -0.24     0.00  -0.01   0.24
    63   1    -0.15  -0.02  -0.07    -0.13   0.19  -0.14     0.09  -0.23   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    264.9147               270.2058               275.5423
 Red. masses --     11.5054                 7.2153                 8.8991
 Frc consts  --      0.4757                 0.3104                 0.3981
 IR Inten    --     31.8647                17.9328                 4.4600
 RamAct Fr= 1--     66.5983                 0.7874               525.4370
  Dep-P Fr= 1--      0.7423                 0.7418                 0.5253
  Dep-U Fr= 1--      0.8521                 0.8518                 0.6888
 Alpha2 Fr= 1--      0.0087                 0.0001                 2.2936
 Beta2  Fr= 1--      9.4582                 0.1118                60.3180
 AlphaG Fr= 1--      0.6409                -0.0185             12712.6992
 Gamma2 Fr= 1--  18094.2390               198.9511            190917.5097
 Delta2 Fr= 1--    199.8824                 1.5293               896.2791
 Raman1 Fr= 1--     266.393                  3.150               2101.748
 ROA1   Fr= 1-- 1743443.179              19148.246           18356761.867
 CID1   Fr= 1--    6544.626               6079.450               8734.046
 Raman2 Fr= 1--     113.498                  1.341                723.816
 ROA2   Fr= 1--  432662.676               4762.593            4574850.001
 CID2   Fr= 1--    3812.060               3550.455               6320.458
 Raman3 Fr= 1--     226.997                  2.683               1447.633
 ROA3   Fr= 1-- 1743443.179              19148.246           18356761.867
 CID3   Fr= 1--    7680.475               7137.392              12680.540
 RC180  Fr= 1--       0.704                  0.704                  0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07   0.02     0.00  -0.04  -0.04     0.01   0.01   0.03
     2   6    -0.02  -0.03   0.03     0.03  -0.02  -0.02    -0.00  -0.00   0.01
     3   6    -0.02   0.00   0.01     0.03  -0.01   0.00     0.00   0.01  -0.01
     4   6     0.01   0.00   0.04     0.04  -0.02  -0.03    -0.01  -0.01   0.07
     5   6    -0.01  -0.03   0.03     0.01  -0.02  -0.05    -0.02  -0.01   0.05
     6   6    -0.11  -0.09  -0.03    -0.02  -0.04  -0.07    -0.08  -0.04   0.02
     7   6    -0.02  -0.02   0.02     0.00  -0.01  -0.04     0.00  -0.01   0.04
     8   8     0.02   0.04  -0.03     0.04  -0.04   0.02    -0.01  -0.01   0.04
     9  29     0.23  -0.06  -0.00     0.11  -0.07  -0.00     0.00  -0.00  -0.08
    10   8     0.01  -0.07   0.18     0.01   0.01  -0.14     0.01  -0.04   0.28
    11   6     0.01   0.02  -0.05     0.01   0.01   0.05     0.01   0.01  -0.04
    12   6    -0.02   0.08  -0.10    -0.03   0.05   0.09     0.02   0.02  -0.12
    13   9    -0.11   0.28   0.01     0.01  -0.07   0.03    -0.06   0.22  -0.01
    14   6    -0.07  -0.05   0.04    -0.02  -0.10   0.11    -0.02   0.04  -0.06
    15   6    -0.03  -0.01  -0.01    -0.02   0.03   0.00     0.03  -0.06   0.01
    16   6    -0.03   0.01   0.03    -0.10   0.02  -0.07     0.03   0.02   0.06
    17   8     0.02   0.04   0.03     0.04  -0.04  -0.02     0.01   0.01   0.04
    18   6     0.01   0.00  -0.04     0.04  -0.02   0.03     0.01   0.01   0.07
    19   6    -0.01  -0.03  -0.03     0.01  -0.02   0.05     0.02   0.01   0.05
    20   6    -0.02  -0.02  -0.02     0.00  -0.01   0.04    -0.00   0.01   0.04
    21   6    -0.02  -0.03  -0.03     0.03  -0.02   0.02     0.00   0.00   0.01
    22   6    -0.02   0.00  -0.01     0.03  -0.01  -0.00    -0.00  -0.01  -0.01
    23   6    -0.04  -0.07  -0.02     0.00  -0.04   0.04    -0.01  -0.01   0.03
    24   6    -0.11  -0.09   0.03    -0.02  -0.04   0.07     0.08   0.04   0.02
    25   6    -0.03   0.01  -0.03    -0.10   0.02   0.07    -0.03  -0.02   0.06
    26   6    -0.03  -0.01   0.01    -0.02   0.03  -0.00    -0.03   0.06   0.01
    27   6    -0.07  -0.05  -0.04    -0.02  -0.10  -0.11     0.02  -0.04  -0.06
    28   6     0.01   0.02   0.05     0.01   0.01  -0.05    -0.01  -0.01  -0.04
    29   6    -0.02   0.08   0.10    -0.03   0.05  -0.09    -0.02  -0.02  -0.12
    30   9    -0.11   0.28  -0.01     0.01  -0.07  -0.03     0.06  -0.22  -0.01
    31   8     0.01  -0.07  -0.18     0.01   0.01   0.14    -0.01   0.04   0.28
    32   9     0.02  -0.10   0.07    -0.08   0.22  -0.05    -0.07   0.21  -0.07
    33   9    -0.05   0.09   0.05    -0.07   0.10  -0.06    -0.01  -0.01  -0.07
    34   9    -0.05   0.09  -0.05    -0.07   0.10   0.06     0.01   0.01  -0.07
    35   9     0.02  -0.10  -0.07    -0.08   0.22   0.05     0.07  -0.21  -0.07
    36   1    -0.18  -0.05   0.16    -0.04  -0.03   0.12     0.15  -0.02  -0.05
    37   1    -0.20  -0.21  -0.03    -0.05  -0.08   0.05     0.14   0.12   0.06
    38   1    -0.04  -0.01  -0.02     0.00  -0.02   0.04    -0.01  -0.08   0.06
    39   1     0.00  -0.12  -0.03     0.01  -0.06   0.03    -0.07   0.01   0.02
    40   1    -0.04  -0.04  -0.04     0.04  -0.01   0.01     0.02   0.01   0.01
    41   1    -0.04   0.04  -0.03    -0.10   0.03   0.13    -0.03  -0.02   0.09
    42   1    -0.01   0.03  -0.01    -0.15   0.04   0.09    -0.05  -0.04   0.03
    43   1    -0.06   0.00  -0.05    -0.14   0.03  -0.01    -0.04  -0.03   0.06
    44   1    -0.04  -0.06   0.03    -0.04   0.11  -0.02    -0.08   0.21  -0.02
    45   1    -0.01   0.02  -0.03     0.01   0.03   0.05     0.03   0.05   0.14
    46   1    -0.04   0.03   0.06    -0.06  -0.02  -0.06    -0.05  -0.03  -0.10
    47   1    -0.05  -0.06  -0.01    -0.05  -0.04  -0.20    -0.02   0.01  -0.16
    48   1    -0.10  -0.02  -0.11    -0.04  -0.07  -0.19     0.01  -0.03  -0.09
    49   1    -0.13  -0.10  -0.01    -0.00  -0.27  -0.10     0.07  -0.15  -0.08
    50   1    -0.01   0.03   0.01    -0.15   0.04  -0.09     0.04   0.04   0.03
    51   1    -0.05   0.04   0.03    -0.10   0.03  -0.13     0.03   0.02   0.09
    52   1    -0.06   0.00   0.05    -0.14   0.03   0.01     0.04   0.03   0.06
    53   1    -0.04   0.03  -0.06    -0.06  -0.02   0.06     0.05   0.03  -0.10
    54   1    -0.01   0.02   0.03     0.01   0.03  -0.05    -0.03  -0.05   0.14
    55   1    -0.04  -0.05  -0.03    -0.04   0.11   0.02     0.08  -0.21  -0.02
    56   1    -0.04  -0.01   0.02     0.00  -0.02  -0.04     0.01   0.08   0.06
    57   1     0.00  -0.12   0.03     0.01  -0.06  -0.03     0.07  -0.01   0.02
    58   1    -0.20  -0.21   0.03    -0.05  -0.08  -0.05    -0.15  -0.12   0.06
    59   1    -0.18  -0.05  -0.16    -0.04  -0.03  -0.12    -0.15   0.02  -0.05
    60   1    -0.04  -0.04   0.04     0.04  -0.01  -0.01    -0.02  -0.01   0.01
    61   1    -0.10  -0.02   0.11    -0.04  -0.07   0.19    -0.01   0.03  -0.09
    62   1    -0.05  -0.06   0.01    -0.05  -0.04   0.20     0.02  -0.01  -0.16
    63   1    -0.13  -0.10   0.01    -0.00  -0.27   0.10    -0.07   0.15  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    285.6241               289.2347               308.7917
 Red. masses --      4.6184                 5.4161                 4.4987
 Frc consts  --      0.2220                 0.2670                 0.2527
 IR Inten    --      0.1571                12.3223                 1.0010
 RamAct Fr= 1--     46.8217                12.3837                31.3824
  Dep-P Fr= 1--      0.3943                 0.7470                 0.7480
  Dep-U Fr= 1--      0.5656                 0.8552                 0.8558
 Alpha2 Fr= 1--      0.3539                 0.0006                 0.0011
 Beta2  Fr= 1--      4.4135                 1.7650                 4.4763
 AlphaG Fr= 1--   -438.3202                -0.2414                 5.3988
 Gamma2 Fr= 1--   3779.5159              3100.7335              9099.6422
 Delta2 Fr= 1--     43.2686                -0.3773               101.9332
 Raman1 Fr= 1--     187.287                 49.535                125.529
 ROA1   Fr= 1--  364218.118             297658.345             876827.513
 CID1   Fr= 1--    1944.706               6009.063               6985.035
 Raman2 Fr= 1--      52.962                 21.180                 53.715
 ROA2   Fr= 1--   90362.232              74420.624             217575.948
 CID2   Fr= 1--    1706.159               3513.697               4050.525
 Raman3 Fr= 1--     105.925                 42.360                107.431
 ROA3   Fr= 1--  364218.118             297658.345             876827.513
 CID3   Fr= 1--    3438.461               7026.825               8161.774
 RC180  Fr= 1--       0.131                  0.710                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.03   0.02   0.03     0.03  -0.10   0.04
     2   6     0.04  -0.01   0.00    -0.05   0.00  -0.00    -0.08  -0.02   0.03
     3   6     0.06   0.00   0.04    -0.07  -0.00  -0.03    -0.06   0.05  -0.03
     4   6     0.03  -0.02   0.01    -0.02   0.03  -0.02    -0.05   0.06  -0.04
     5   6     0.00  -0.03  -0.01    -0.00   0.02  -0.00    -0.02   0.01  -0.03
     6   6    -0.12  -0.08  -0.07     0.13   0.07   0.06     0.13  -0.03   0.01
     7   6     0.02  -0.02  -0.01    -0.02   0.01   0.00    -0.05  -0.01  -0.01
     8   8     0.02  -0.03  -0.04    -0.01   0.06   0.05    -0.05   0.07   0.06
     9  29    -0.00   0.00   0.02     0.11  -0.03  -0.00    -0.00   0.00  -0.00
    10   8     0.06   0.06  -0.02    -0.06  -0.09  -0.02     0.00  -0.03   0.00
    11   6     0.07   0.04   0.01    -0.07  -0.04  -0.01     0.00   0.02  -0.00
    12   6     0.05   0.06   0.01    -0.06  -0.04   0.00     0.06   0.02   0.00
    13   9     0.06   0.01  -0.01    -0.07  -0.01   0.02     0.09  -0.05  -0.03
    14   6    -0.05  -0.07   0.05     0.03   0.04  -0.02    -0.04  -0.04   0.06
    15   6     0.02  -0.06   0.04    -0.04   0.08  -0.05    -0.07   0.03  -0.11
    16   6    -0.08  -0.02  -0.04     0.06   0.01   0.02     0.01  -0.03  -0.00
    17   8    -0.02   0.03  -0.04    -0.01   0.06  -0.05    -0.04   0.07  -0.05
    18   6    -0.03   0.02   0.01    -0.02   0.03   0.02    -0.05   0.05   0.03
    19   6    -0.00   0.03  -0.01    -0.00   0.02   0.00    -0.02   0.01   0.03
    20   6    -0.02   0.02  -0.01    -0.02   0.01  -0.00    -0.05  -0.01   0.01
    21   6    -0.04   0.01   0.00    -0.05   0.00   0.00    -0.07  -0.02  -0.03
    22   6    -0.06  -0.00   0.04    -0.07  -0.00   0.03    -0.06   0.05   0.03
    23   6     0.04   0.05  -0.04     0.03   0.02  -0.03     0.02  -0.09  -0.04
    24   6     0.12   0.08  -0.07     0.13   0.07  -0.06     0.12  -0.03  -0.01
    25   6     0.08   0.02  -0.04     0.06   0.01  -0.02     0.01  -0.03   0.00
    26   6    -0.02   0.06   0.04    -0.04   0.08   0.05    -0.06   0.03   0.10
    27   6     0.05   0.07   0.05     0.03   0.04   0.02    -0.04  -0.03  -0.06
    28   6    -0.07  -0.04   0.01    -0.07  -0.04   0.01     0.00   0.02   0.00
    29   6    -0.05  -0.06   0.01    -0.06  -0.04  -0.00     0.06   0.02  -0.00
    30   9    -0.06  -0.01  -0.01    -0.07  -0.01  -0.02     0.08  -0.04   0.03
    31   8    -0.06  -0.06  -0.02    -0.06  -0.09   0.02     0.00  -0.02  -0.00
    32   9    -0.06   0.01   0.02    -0.09   0.06   0.01     0.08  -0.07  -0.02
    33   9     0.07  -0.18   0.02     0.05  -0.15   0.01    -0.04   0.11  -0.01
    34   9    -0.07   0.18   0.02     0.05  -0.15  -0.01    -0.04   0.12   0.01
    35   9     0.06  -0.01   0.02    -0.09   0.06  -0.01     0.08  -0.08   0.02
    36   1     0.18   0.04  -0.21     0.21   0.01  -0.20     0.20  -0.09  -0.10
    37   1     0.21   0.19  -0.01     0.24   0.20   0.01     0.22   0.05   0.07
    38   1     0.05  -0.01  -0.08     0.04  -0.06  -0.07     0.03  -0.18  -0.06
    39   1     0.04   0.12   0.01     0.01   0.09   0.01    -0.01  -0.06  -0.03
    40   1    -0.05   0.01   0.01    -0.07  -0.00  -0.01    -0.13  -0.05  -0.09
    41   1     0.06   0.07  -0.11     0.04   0.07  -0.09     0.02  -0.05  -0.03
    42   1     0.19   0.00  -0.05     0.16  -0.01  -0.04     0.03  -0.05  -0.02
    43   1     0.08  -0.03   0.04     0.06  -0.04   0.05     0.04  -0.03   0.06
    44   1    -0.06   0.11   0.03    -0.11   0.18   0.04    -0.14   0.05   0.12
    45   1     0.02   0.07   0.09     0.03   0.10   0.15    -0.00   0.05   0.16
    46   1    -0.03   0.03   0.00    -0.06   0.03  -0.01    -0.05   0.03   0.10
    47   1     0.05   0.06   0.06     0.01   0.03  -0.00    -0.09  -0.01  -0.14
    48   1     0.08   0.04   0.15     0.04   0.03   0.09    -0.06   0.00  -0.09
    49   1     0.10   0.17   0.02     0.08   0.08  -0.00     0.01  -0.14  -0.07
    50   1    -0.19  -0.00  -0.05     0.16  -0.01   0.04     0.03  -0.05   0.02
    51   1    -0.06  -0.07  -0.11     0.04   0.07   0.09     0.02  -0.05   0.03
    52   1    -0.08   0.03   0.04     0.06  -0.04  -0.05     0.05  -0.03  -0.06
    53   1     0.03  -0.03   0.00    -0.06   0.03   0.01    -0.05   0.03  -0.11
    54   1    -0.02  -0.07   0.09     0.03   0.10  -0.15    -0.01   0.06  -0.18
    55   1     0.06  -0.11   0.03    -0.11   0.18  -0.04    -0.15   0.06  -0.14
    56   1    -0.05   0.01  -0.08     0.04  -0.06   0.07     0.03  -0.20   0.06
    57   1    -0.04  -0.12   0.01     0.01   0.09  -0.01    -0.01  -0.07   0.04
    58   1    -0.21  -0.20  -0.01     0.24   0.20  -0.01     0.24   0.06  -0.08
    59   1    -0.18  -0.04  -0.21     0.21   0.01   0.20     0.21  -0.10   0.11
    60   1     0.05  -0.01   0.01    -0.07  -0.00   0.01    -0.14  -0.05   0.10
    61   1    -0.08  -0.04   0.15     0.04   0.03  -0.09    -0.07   0.00   0.09
    62   1    -0.05  -0.06   0.06     0.01   0.03   0.00    -0.09  -0.01   0.15
    63   1    -0.10  -0.17   0.02     0.08   0.08   0.00     0.01  -0.15   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --    309.3359               322.3819               322.7662
 Red. masses --      4.5278                 1.9993                 2.0397
 Frc consts  --      0.2553                 0.1224                 0.1252
 IR Inten    --      0.2547                 0.5277                 1.7195
 RamAct Fr= 1--    423.3213               195.9350                43.8396
  Dep-P Fr= 1--      0.1332                 0.3145                 0.7161
  Dep-U Fr= 1--      0.2351                 0.4785                 0.8346
 Alpha2 Fr= 1--      6.8268                 1.9234                 0.0257
 Beta2  Fr= 1--     16.5882                15.6259                 6.0978
 AlphaG Fr= 1--  11081.4871               381.7894                 0.6623
 Gamma2 Fr= 1--  10492.4061             -1322.2162             11570.0923
 Delta2 Fr= 1--   -985.4779               -59.7782               136.5813
 Raman1 Fr= 1--    1693.285                783.740                175.358
 ROA1   Fr= 1--  975735.696            -128845.661            1115099.463
 CID1   Fr= 1--     576.238               -164.399               6358.972
 Raman2 Fr= 1--     199.058                187.510                 73.174
 ROA2   Fr= 1--  259701.571             -31254.964             276589.564
 CID2   Fr= 1--    1304.652               -166.684               3779.883
 Raman3 Fr= 1--     398.116                375.021                146.348
 ROA3   Fr= 1--  975735.696            -128845.661            1115099.463
 CID3   Fr= 1--    2450.881               -343.570               7619.494
 RC180  Fr= 1--      -0.530                 -0.043                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.08  -0.05    -0.09  -0.05  -0.05     0.11   0.05   0.06
     2   6     0.08   0.02  -0.02     0.01  -0.01   0.00    -0.02   0.01  -0.00
     3   6     0.07  -0.05   0.05     0.02  -0.02   0.05    -0.03   0.03  -0.06
     4   6     0.06  -0.06   0.03     0.03  -0.01   0.01    -0.03   0.02  -0.01
     5   6     0.02  -0.01   0.03     0.02  -0.00  -0.02    -0.02   0.01   0.02
     6   6    -0.12   0.03  -0.01     0.07   0.01   0.01    -0.07  -0.02  -0.01
     7   6     0.06   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.01   0.01
     8   8     0.05  -0.07  -0.07     0.03  -0.02   0.02    -0.03   0.04  -0.01
     9  29     0.00   0.00   0.02     0.00  -0.00  -0.01     0.02  -0.00   0.00
    10   8    -0.00   0.03  -0.03     0.00   0.01   0.02    -0.01  -0.02  -0.02
    11   6     0.00  -0.01   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.01
    12   6    -0.05  -0.02  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.02
    13   9    -0.07   0.04   0.02    -0.01   0.04   0.00     0.01  -0.05  -0.00
    14   6     0.03   0.03  -0.05    -0.00  -0.02   0.00    -0.01   0.02  -0.00
    15   6     0.07  -0.02   0.12    -0.01   0.07   0.03     0.01  -0.07  -0.04
    16   6    -0.02   0.02  -0.01    -0.04   0.00  -0.02     0.04  -0.00   0.02
    17   8    -0.06   0.08  -0.08    -0.03   0.02   0.02    -0.02   0.03   0.01
    18   6    -0.06   0.06   0.03    -0.03   0.02   0.01    -0.03   0.02   0.01
    19   6    -0.03   0.01   0.03    -0.03   0.00  -0.02    -0.02   0.00  -0.02
    20   6    -0.06  -0.01   0.01    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01
    21   6    -0.08  -0.02  -0.03    -0.02   0.01   0.00    -0.02   0.01   0.00
    22   6    -0.07   0.06   0.05    -0.02   0.02   0.06    -0.02   0.02   0.06
    23   6     0.05  -0.09  -0.05     0.10   0.06  -0.06     0.09   0.05  -0.05
    24   6     0.13  -0.03  -0.02    -0.08  -0.02   0.01    -0.06  -0.02   0.01
    25   6     0.02  -0.02  -0.00     0.04  -0.00  -0.02     0.03  -0.00  -0.02
    26   6    -0.07   0.02   0.13     0.01  -0.07   0.04     0.01  -0.06   0.04
    27   6    -0.03  -0.03  -0.06     0.00   0.02   0.00    -0.01   0.02   0.00
    28   6     0.00   0.01   0.00    -0.01   0.00   0.01    -0.01   0.00   0.01
    29   6     0.05   0.02  -0.00     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    30   9     0.08  -0.04   0.03     0.01  -0.05   0.00     0.01  -0.04   0.00
    31   8     0.00  -0.04  -0.03    -0.01  -0.01   0.02    -0.01  -0.02   0.01
    32   9     0.07  -0.08  -0.02    -0.01   0.03  -0.01    -0.00   0.02  -0.01
    33   9    -0.04   0.11  -0.01    -0.00  -0.01  -0.02    -0.00   0.00  -0.01
    34   9     0.03  -0.10  -0.01     0.00   0.01  -0.02    -0.00  -0.00   0.02
    35   9    -0.07   0.07  -0.01     0.01  -0.02  -0.01    -0.00   0.02   0.01
    36   1     0.20  -0.09  -0.11    -0.20   0.09   0.12    -0.17   0.08   0.11
    37   1     0.24   0.04   0.08    -0.15  -0.20  -0.01    -0.13  -0.18  -0.01
    38   1     0.06  -0.17  -0.11     0.12   0.18  -0.24     0.11   0.15  -0.22
    39   1     0.05  -0.05  -0.03     0.31   0.03   0.02     0.28   0.02   0.02
    40   1    -0.16  -0.05  -0.10    -0.04  -0.00  -0.01    -0.05  -0.01  -0.01
    41   1     0.03  -0.05  -0.05     0.06  -0.05  -0.06     0.05  -0.04  -0.05
    42   1     0.05  -0.04  -0.02     0.02   0.01  -0.01     0.02   0.01  -0.01
    43   1     0.07  -0.02   0.05     0.09   0.03  -0.01     0.08   0.03  -0.01
    44   1    -0.15   0.02   0.16     0.09  -0.28   0.08     0.07  -0.24   0.08
    45   1    -0.01   0.06   0.16    -0.06  -0.05  -0.14    -0.05  -0.04  -0.12
    46   1    -0.05   0.04   0.15     0.05   0.06   0.20     0.03   0.05   0.18
    47   1    -0.09  -0.01  -0.14     0.01   0.02   0.01    -0.00   0.02   0.01
    48   1    -0.06   0.00  -0.08     0.01   0.00   0.02     0.00   0.01   0.01
    49   1     0.02  -0.13  -0.07     0.00   0.05   0.00    -0.01   0.04  -0.00
    50   1    -0.05   0.04  -0.02    -0.02  -0.01  -0.01     0.02   0.01   0.01
    51   1    -0.03   0.04  -0.05    -0.05   0.04  -0.05     0.06  -0.05   0.06
    52   1    -0.06   0.02   0.05    -0.08  -0.03  -0.01     0.09   0.03   0.01
    53   1     0.04  -0.04   0.14    -0.04  -0.05   0.17     0.04   0.06  -0.20
    54   1     0.01  -0.05   0.15     0.05   0.05  -0.12    -0.06  -0.04   0.13
    55   1     0.14  -0.01   0.15    -0.08   0.25   0.07     0.08  -0.28  -0.09
    56   1    -0.06   0.16  -0.10    -0.10  -0.16  -0.21     0.12   0.17   0.25
    57   1    -0.05   0.05  -0.03    -0.27  -0.03   0.02     0.32   0.03  -0.02
    58   1    -0.22  -0.04   0.07     0.13   0.18  -0.01    -0.14  -0.20   0.01
    59   1    -0.18   0.08  -0.11     0.18  -0.08   0.11    -0.20   0.09  -0.12
    60   1     0.15   0.05  -0.09     0.03   0.00  -0.00    -0.05  -0.01   0.01
    61   1     0.05  -0.00  -0.07    -0.01  -0.00   0.02     0.00   0.01  -0.02
    62   1     0.08   0.01  -0.13    -0.01  -0.02   0.01     0.00   0.02  -0.01
    63   1    -0.01   0.12  -0.07    -0.00  -0.05   0.00    -0.00   0.05   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    369.2201               383.2182               394.0338
 Red. masses --      4.3712                 3.3183                 2.7927
 Frc consts  --      0.3511                 0.2871                 0.2555
 IR Inten    --      0.0960                 5.9168                 0.0328
 RamAct Fr= 1--   4236.5788                26.9592               141.9014
  Dep-P Fr= 1--      0.1258                 0.7464                 0.2078
  Dep-U Fr= 1--      0.2234                 0.8548                 0.3441
 Alpha2 Fr= 1--     69.6038                 0.0016                 1.8876
 Beta2  Fr= 1--    157.7723                 3.8408                 8.1369
 AlphaG Fr= 1-- 151539.1300                -0.7556              5254.6048
 Gamma2 Fr= 1-- 498408.8423              5699.2313             31804.8738
 Delta2 Fr= 1--  -9148.1095                72.9115              -144.6267
 Raman1 Fr= 1--   16946.315                107.837                567.605
 ROA1   Fr= 1--47554509.358             549459.370            3048639.827
 CID1   Fr= 1--    2806.186               5095.295               5371.054
 Raman2 Fr= 1--    1893.267                 46.089                 97.643
 ROA2   Fr= 1--12034997.092             136198.259             764473.984
 CID2   Fr= 1--    6356.734               2955.114               7829.269
 Raman3 Fr= 1--    3786.535                 92.178                195.286
 ROA3   Fr= 1--47554509.358             549459.370            3048639.827
 CID3   Fr= 1--   12558.847               5960.851              15611.141
 RC180  Fr= 1--      -0.553                  0.710                 -0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.00    -0.00  -0.06  -0.01    -0.02   0.00  -0.05
     2   6     0.01  -0.03  -0.02    -0.02   0.04   0.02    -0.03  -0.02  -0.05
     3   6     0.02  -0.05  -0.04    -0.03   0.05   0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.10  -0.01    -0.01   0.07  -0.00    -0.02   0.00  -0.03
     5   6    -0.05  -0.06   0.04     0.03   0.06  -0.06     0.00  -0.02  -0.02
     6   6     0.01   0.04   0.10     0.00  -0.03  -0.10    -0.01  -0.00  -0.03
     7   6    -0.04  -0.05   0.02     0.03   0.06  -0.03     0.01  -0.03  -0.01
     8   8    -0.03  -0.18  -0.03    -0.01   0.09   0.02    -0.02   0.02   0.01
     9  29    -0.00  -0.00   0.01    -0.02  -0.04   0.00    -0.00  -0.00   0.00
    10   8     0.00  -0.05  -0.02    -0.01  -0.02  -0.00    -0.04  -0.06  -0.01
    11   6     0.00  -0.03  -0.02    -0.01   0.02   0.02    -0.03  -0.01  -0.02
    12   6     0.01   0.03   0.01    -0.00  -0.01  -0.01     0.01   0.01   0.00
    13   9     0.03   0.03   0.00    -0.02  -0.01   0.00     0.03  -0.01  -0.01
    14   6     0.08   0.00  -0.07    -0.05   0.00   0.06     0.00  -0.04  -0.01
    15   6    -0.06  -0.00  -0.08     0.07  -0.00   0.13    -0.00   0.01   0.16
    16   6    -0.02   0.03   0.06     0.06  -0.01  -0.05     0.12   0.07   0.05
    17   8     0.03   0.18  -0.03    -0.01   0.09  -0.02     0.02  -0.02   0.01
    18   6     0.01   0.10  -0.01    -0.01   0.07   0.00     0.02  -0.00  -0.03
    19   6     0.05   0.06   0.04     0.03   0.06   0.06    -0.00   0.02  -0.02
    20   6     0.04   0.05   0.02     0.03   0.06   0.03    -0.01   0.03  -0.01
    21   6    -0.01   0.03  -0.02    -0.02   0.04  -0.02     0.03   0.02  -0.06
    22   6    -0.02   0.06  -0.04    -0.03   0.05  -0.04     0.04  -0.00  -0.06
    23   6    -0.00  -0.06   0.00     0.00  -0.06   0.01     0.02  -0.00  -0.05
    24   6    -0.01  -0.04   0.10     0.00  -0.03   0.10     0.01   0.00  -0.03
    25   6     0.02  -0.03   0.06     0.06  -0.01   0.05    -0.12  -0.07   0.05
    26   6     0.06   0.00  -0.08     0.07  -0.00  -0.13     0.00  -0.01   0.16
    27   6    -0.08  -0.00  -0.07    -0.05   0.00  -0.06    -0.00   0.04  -0.01
    28   6    -0.00   0.03  -0.02    -0.01   0.02  -0.02     0.03   0.01  -0.02
    29   6    -0.01  -0.03   0.01    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    30   9    -0.03  -0.03   0.00    -0.02  -0.01  -0.00    -0.03   0.01  -0.01
    31   8    -0.00   0.05  -0.02    -0.01  -0.02   0.00     0.04   0.06  -0.01
    32   9    -0.02  -0.04   0.02    -0.02  -0.03   0.02    -0.02  -0.00   0.02
    33   9     0.06  -0.10   0.02     0.03  -0.05   0.01     0.03  -0.04   0.01
    34   9    -0.06   0.10   0.02     0.03  -0.05  -0.01    -0.03   0.04   0.01
    35   9     0.02   0.04   0.02    -0.02  -0.03  -0.02     0.02   0.00   0.02
    36   1    -0.02  -0.05   0.23     0.01  -0.05   0.20     0.01   0.01  -0.02
    37   1    -0.06  -0.14   0.07    -0.02  -0.10   0.10     0.02  -0.01  -0.02
    38   1     0.00  -0.06  -0.02     0.01  -0.06  -0.02     0.02  -0.01  -0.03
    39   1     0.02  -0.12  -0.02     0.02  -0.11  -0.01     0.01  -0.01  -0.06
    40   1    -0.05   0.02  -0.07    -0.04   0.03  -0.06     0.05   0.04  -0.10
    41   1     0.04  -0.10   0.10     0.09  -0.08   0.05    -0.11  -0.12   0.22
    42   1    -0.05  -0.08  -0.01     0.03  -0.06  -0.01    -0.25  -0.13  -0.04
    43   1     0.05  -0.02   0.10     0.12   0.00   0.12    -0.16  -0.10   0.03
    44   1     0.15  -0.00  -0.11     0.21   0.02  -0.19    -0.11  -0.13   0.24
    45   1    -0.00  -0.03  -0.13    -0.03  -0.07  -0.19     0.03   0.01   0.18
    46   1     0.04  -0.01  -0.10     0.03  -0.04  -0.17     0.13   0.07   0.26
    47   1    -0.12  -0.01  -0.12    -0.09   0.03  -0.14     0.00   0.03  -0.00
    48   1    -0.15   0.10  -0.20    -0.10   0.07  -0.18    -0.00   0.03  -0.01
    49   1    -0.11  -0.20  -0.04    -0.06  -0.19  -0.05    -0.01   0.05  -0.01
    50   1     0.05   0.08  -0.01     0.03  -0.06   0.01     0.25   0.13  -0.04
    51   1    -0.04   0.10   0.10     0.09  -0.08  -0.05     0.11   0.12   0.22
    52   1    -0.05   0.02   0.10     0.12   0.00  -0.12     0.15   0.10   0.03
    53   1    -0.04   0.01  -0.10     0.03  -0.04   0.17    -0.13  -0.07   0.25
    54   1     0.00   0.03  -0.13    -0.03  -0.07   0.19    -0.03  -0.01   0.18
    55   1    -0.15   0.00  -0.11     0.21   0.02   0.19     0.11   0.13   0.24
    56   1    -0.00   0.06  -0.02     0.01  -0.06   0.02    -0.02   0.01  -0.03
    57   1    -0.02   0.12  -0.02     0.02  -0.11   0.01    -0.01   0.01  -0.06
    58   1     0.06   0.14   0.07    -0.02  -0.10  -0.10    -0.02   0.01  -0.02
    59   1     0.02   0.05   0.23     0.01  -0.05  -0.20    -0.01  -0.01  -0.02
    60   1     0.05  -0.02  -0.07    -0.04   0.03   0.06    -0.05  -0.04  -0.09
    61   1     0.15  -0.10  -0.20    -0.10   0.07   0.18     0.00  -0.03  -0.01
    62   1     0.12   0.01  -0.11    -0.09   0.03   0.14    -0.00  -0.03  -0.00
    63   1     0.11   0.20  -0.04    -0.06  -0.19   0.05     0.00  -0.05  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --    394.6257               425.5768               446.2836
 Red. masses --      2.8783                 3.5301                 5.2212
 Frc consts  --      0.2641                 0.3767                 0.6127
 IR Inten    --      0.1958                 0.0127                 0.0923
 RamAct Fr= 1--      0.5821              3164.4319              4556.9977
  Dep-P Fr= 1--      0.7335                 0.1622                 0.1558
  Dep-U Fr= 1--      0.8462                 0.2791                 0.2696
 Alpha2 Fr= 1--      0.0002                47.4243                69.4176
 Beta2  Fr= 1--      0.0821               147.1911               204.7438
 AlphaG Fr= 1--      0.3987            122767.7776            179024.8227
 Gamma2 Fr= 1--    148.4072            561645.8252            818136.6197
 Delta2 Fr= 1--      0.7838             -6199.6816             -8338.9346
 Raman1 Fr= 1--       2.328              12657.727              18227.991
 ROA1   Fr= 1--   14272.173           53719609.407           78274269.587
 CID1   Fr= 1--    6130.108               4244.017               4294.180
 Raman2 Fr= 1--       0.985               1766.293               2456.926
 ROA2   Fr= 1--    3555.502           13529097.258           19701990.350
 CID2   Fr= 1--    3609.248               7659.599               8018.961
 Raman3 Fr= 1--       1.970               3532.586               4913.851
 ROA3   Fr= 1--   14272.173           53719609.407           78274269.587
 CID3   Fr= 1--    7243.958              15206.877              15929.312
 RC180  Fr= 1--       0.692                 -0.442                 -0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.05     0.02  -0.02   0.03     0.04   0.06   0.04
     2   6    -0.02  -0.03  -0.07    -0.00   0.06   0.05    -0.01  -0.02  -0.01
     3   6    -0.04  -0.01  -0.07     0.00  -0.01   0.07    -0.07  -0.05   0.12
     4   6    -0.01  -0.02  -0.02    -0.04  -0.03  -0.02     0.02  -0.00   0.07
     5   6     0.00  -0.05  -0.00    -0.06   0.06  -0.09     0.06   0.00   0.02
     6   6    -0.02   0.00  -0.00     0.03   0.01  -0.07     0.01   0.04   0.02
     7   6     0.01  -0.05  -0.01    -0.03   0.10  -0.04     0.09   0.01  -0.04
     8   8    -0.01   0.01   0.00    -0.08  -0.14   0.00     0.04   0.05  -0.02
     9  29     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   8    -0.04  -0.05  -0.01     0.02  -0.07  -0.01    -0.11  -0.18  -0.04
    11   6    -0.03  -0.02  -0.02     0.01  -0.02   0.03    -0.09  -0.05   0.05
    12   6     0.01   0.01   0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
    13   9     0.04  -0.01  -0.02    -0.02   0.03   0.02     0.05   0.04  -0.02
    14   6     0.01  -0.05  -0.03     0.02   0.04   0.05    -0.01  -0.00  -0.01
    15   6    -0.02   0.01   0.13     0.02  -0.04   0.05     0.10   0.05  -0.01
    16   6     0.11   0.08   0.07     0.05  -0.02  -0.06    -0.05  -0.01  -0.12
    17   8    -0.01   0.01  -0.00     0.08   0.14   0.00    -0.04  -0.05  -0.02
    18   6    -0.01  -0.02   0.02     0.04   0.03  -0.02    -0.03   0.00   0.07
    19   6     0.00  -0.05   0.00     0.06  -0.06  -0.09    -0.06  -0.00   0.02
    20   6     0.01  -0.05   0.00     0.04  -0.10  -0.04    -0.09  -0.01  -0.04
    21   6    -0.02  -0.03   0.06     0.00  -0.06   0.05     0.01   0.02  -0.01
    22   6    -0.04  -0.01   0.07    -0.00   0.01   0.07     0.07   0.05   0.12
    23   6    -0.02   0.01   0.05    -0.02   0.02   0.03    -0.04  -0.06   0.04
    24   6    -0.02   0.00   0.00    -0.03  -0.01  -0.07    -0.01  -0.04   0.02
    25   6     0.11   0.08  -0.07    -0.05   0.02  -0.06     0.06   0.01  -0.12
    26   6    -0.02   0.01  -0.13    -0.02   0.04   0.05    -0.11  -0.06  -0.01
    27   6     0.01  -0.05   0.03    -0.02  -0.04   0.05     0.01   0.00  -0.01
    28   6    -0.03  -0.02   0.02    -0.01   0.02   0.03     0.10   0.05   0.05
    29   6     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    30   9     0.04  -0.01   0.01     0.02  -0.03   0.02    -0.06  -0.04  -0.02
    31   8    -0.04  -0.05   0.01    -0.02   0.07  -0.01     0.11   0.19  -0.05
    32   9     0.03   0.01  -0.03     0.02   0.00  -0.02    -0.03   0.03   0.04
    33   9    -0.03   0.05  -0.01     0.01  -0.02  -0.02     0.05  -0.05  -0.03
    34   9    -0.03   0.05   0.01    -0.01   0.02  -0.02    -0.05   0.05  -0.03
    35   9     0.03   0.01   0.03    -0.02  -0.00  -0.02     0.02  -0.03   0.04
    36   1    -0.02   0.00  -0.02    -0.08   0.02  -0.02     0.04  -0.08  -0.00
    37   1    -0.03   0.04  -0.01    -0.11  -0.01  -0.15     0.02   0.00   0.04
    38   1    -0.02   0.03   0.04    -0.02   0.04   0.06    -0.06  -0.10   0.21
    39   1    -0.02   0.04   0.07    -0.04   0.06   0.04    -0.20  -0.10  -0.06
    40   1    -0.04  -0.06   0.12    -0.03  -0.10   0.13    -0.01   0.01  -0.05
    41   1     0.08   0.15  -0.24    -0.10   0.13  -0.03     0.07  -0.01  -0.29
    42   1     0.25   0.16   0.05    -0.02   0.10   0.04     0.16   0.03  -0.09
    43   1     0.12   0.10  -0.08    -0.15   0.01  -0.20     0.15   0.04  -0.03
    44   1     0.06   0.14  -0.21    -0.16   0.10   0.08    -0.12  -0.08   0.00
    45   1    -0.02   0.02  -0.14     0.14   0.16   0.10    -0.13  -0.10   0.03
    46   1    -0.15  -0.06  -0.22    -0.10   0.06   0.06    -0.03  -0.07  -0.02
    47   1     0.02  -0.06   0.05    -0.02  -0.19   0.17     0.01   0.07  -0.07
    48   1     0.02  -0.05   0.06    -0.07   0.04   0.09     0.04  -0.05  -0.00
    49   1     0.01  -0.01   0.03    -0.08   0.08   0.07     0.05  -0.02  -0.03
    50   1     0.25   0.16  -0.05     0.02  -0.10   0.04    -0.15  -0.03  -0.08
    51   1     0.08   0.15   0.24     0.10  -0.13  -0.03    -0.06   0.01  -0.29
    52   1     0.12   0.10   0.08     0.15  -0.01  -0.20    -0.14  -0.04  -0.04
    53   1    -0.16  -0.06   0.23     0.10  -0.06   0.06     0.03   0.06  -0.02
    54   1    -0.02   0.02   0.14    -0.14  -0.16   0.10     0.13   0.09   0.03
    55   1     0.06   0.14   0.21     0.16  -0.10   0.08     0.12   0.07   0.00
    56   1    -0.02   0.03  -0.04     0.02  -0.04   0.06     0.06   0.10   0.21
    57   1    -0.02   0.04  -0.07     0.04  -0.06   0.04     0.19   0.10  -0.06
    58   1    -0.03   0.04   0.01     0.11   0.01  -0.15    -0.02  -0.00   0.04
    59   1    -0.02   0.00   0.02     0.08  -0.02  -0.02    -0.03   0.08  -0.00
    60   1    -0.04  -0.06  -0.12     0.03   0.10   0.13     0.01  -0.01  -0.05
    61   1     0.02  -0.05  -0.06     0.07  -0.04   0.10    -0.04   0.05  -0.00
    62   1     0.02  -0.06  -0.05     0.02   0.19   0.17    -0.01  -0.06  -0.06
    63   1     0.01  -0.01  -0.03     0.08  -0.08   0.07    -0.05   0.02  -0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --    446.9716               455.5004               490.5665
 Red. masses --      3.7092                 5.3193                 6.3987
 Frc consts  --      0.4366                 0.6503                 0.9073
 IR Inten    --     25.5678                 5.1787                 0.0007
 RamAct Fr= 1--     26.5458               133.1815              2372.9112
  Dep-P Fr= 1--      0.6600                 0.7421                 0.1610
  Dep-U Fr= 1--      0.7952                 0.8520                 0.2774
 Alpha2 Fr= 1--      0.0427                 0.0178                35.6660
 Beta2  Fr= 1--      3.5181                18.9112               109.7058
 AlphaG Fr= 1--     76.8378                 1.1533             93451.9986
 Gamma2 Fr= 1--   7842.0306             35069.6868            453662.0954
 Delta2 Fr= 1--     49.2861               429.1416             -3683.6596
 Raman1 Fr= 1--     106.183                532.726               9491.645
 ROA1   Fr= 1--  754412.094            3380422.468           43433684.049
 CID1   Fr= 1--    7104.808               6345.517               4575.991
 Raman2 Fr= 1--      42.217                226.934               1316.470
 ROA2   Fr= 1--  187814.446             838239.351           10917359.566
 CID2   Fr= 1--    4448.811               3693.755               8292.905
 Raman3 Fr= 1--      84.434                453.868               2632.940
 ROA3   Fr= 1--  754412.094            3380422.468           43433684.049
 CID3   Fr= 1--    8934.980               7448.024              16496.270
 RC180  Fr= 1--       0.590                  0.704                 -0.445
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.05  -0.07  -0.04    -0.04  -0.09   0.01
     2   6    -0.00  -0.04  -0.03     0.01  -0.03  -0.02     0.02   0.01   0.03
     3   6    -0.05  -0.01   0.04     0.03   0.08  -0.17    -0.00   0.05  -0.18
     4   6     0.03   0.03   0.06     0.03   0.07  -0.03     0.03   0.03  -0.03
     5   6     0.08  -0.03   0.07     0.05  -0.01   0.08     0.04   0.05   0.08
     6   6    -0.01   0.01   0.05    -0.03  -0.07   0.03    -0.02  -0.06   0.02
     7   6     0.10  -0.05  -0.01     0.01  -0.06   0.07     0.06   0.05   0.05
     8   8     0.06   0.12  -0.01     0.04   0.11   0.01     0.01  -0.04  -0.00
     9  29    -0.04  -0.03   0.00    -0.03  -0.07   0.00     0.00   0.00   0.00
    10   8    -0.07  -0.10  -0.02     0.07   0.10   0.04     0.02  -0.21   0.02
    11   6    -0.06  -0.02   0.01     0.06   0.07  -0.08     0.02  -0.01  -0.13
    12   6    -0.00   0.00   0.00     0.01   0.01  -0.01     0.03   0.02  -0.04
    13   9     0.03   0.01  -0.02    -0.06  -0.07   0.01    -0.10  -0.06  -0.00
    14   6    -0.02  -0.02  -0.03    -0.03   0.00  -0.00    -0.03   0.09   0.05
    15   6     0.09   0.07  -0.02    -0.02   0.02  -0.02     0.11   0.06   0.00
    16   6    -0.07   0.00  -0.06    -0.02   0.01   0.11    -0.03  -0.01   0.01
    17   8     0.05   0.12   0.01     0.04   0.11  -0.01    -0.01   0.04  -0.00
    18   6     0.03   0.03  -0.06     0.03   0.07   0.03    -0.03  -0.03  -0.03
    19   6     0.08  -0.03  -0.06     0.05  -0.01  -0.08    -0.04  -0.05   0.08
    20   6     0.10  -0.05   0.01     0.01  -0.06  -0.07    -0.06  -0.05   0.05
    21   6    -0.00  -0.04   0.03     0.01  -0.03   0.02    -0.02  -0.01   0.03
    22   6    -0.05  -0.01  -0.04     0.03   0.08   0.17     0.00  -0.05  -0.18
    23   6     0.02   0.04  -0.01    -0.05  -0.07   0.04     0.04   0.09   0.01
    24   6    -0.01   0.01  -0.05    -0.03  -0.07  -0.03     0.02   0.06   0.02
    25   6    -0.07   0.00   0.06    -0.02   0.01  -0.11     0.03   0.01   0.01
    26   6     0.09   0.07   0.02    -0.03   0.02   0.02    -0.11  -0.06   0.00
    27   6    -0.02  -0.02   0.03    -0.03   0.00   0.00     0.03  -0.09   0.05
    28   6    -0.06  -0.02  -0.01     0.06   0.07   0.08    -0.02   0.01  -0.13
    29   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.03  -0.02  -0.04
    30   9     0.03   0.01   0.02    -0.06  -0.07  -0.01     0.10   0.06  -0.00
    31   8    -0.07  -0.09   0.02     0.07   0.10  -0.04    -0.02   0.21   0.02
    32   9     0.02  -0.02  -0.02    -0.01   0.03   0.04    -0.03  -0.07  -0.06
    33   9    -0.02   0.02   0.01     0.05  -0.05  -0.06     0.01  -0.02   0.12
    34   9    -0.02   0.02  -0.01     0.05  -0.05   0.06    -0.01   0.02   0.12
    35   9     0.02  -0.02   0.02    -0.01   0.03  -0.04     0.03   0.07  -0.06
    36   1    -0.06   0.05   0.00    -0.04  -0.07   0.08    -0.00   0.09  -0.09
    37   1    -0.07  -0.02  -0.11    -0.11  -0.07  -0.11     0.07   0.09   0.07
    38   1     0.03   0.07  -0.10    -0.07  -0.08   0.21     0.06   0.11  -0.15
    39   1     0.10   0.08   0.06    -0.19  -0.08  -0.03     0.18   0.12   0.09
    40   1    -0.02  -0.07   0.10    -0.07  -0.08   0.04     0.04   0.01   0.08
    41   1    -0.11   0.08   0.23    -0.05   0.08  -0.11     0.04  -0.00  -0.14
    42   1    -0.14   0.03   0.09     0.01   0.06  -0.04     0.10   0.05   0.08
    43   1    -0.21  -0.03  -0.09    -0.08   0.00  -0.19     0.10   0.06   0.04
    44   1     0.02   0.12   0.03    -0.17   0.05   0.07    -0.05  -0.04  -0.03
    45   1     0.19   0.16   0.03     0.10   0.10   0.09    -0.14  -0.06  -0.03
    46   1    -0.02   0.08   0.04    -0.04   0.04   0.04    -0.15  -0.07  -0.01
    47   1    -0.03  -0.17   0.14    -0.05  -0.12   0.08     0.03  -0.03   0.00
    48   1    -0.09   0.07   0.03    -0.09   0.09   0.00     0.07  -0.15   0.06
    49   1    -0.10   0.04   0.06    -0.09   0.04   0.02     0.07  -0.10   0.03
    50   1    -0.15   0.02  -0.09     0.01   0.06   0.04    -0.10  -0.05   0.08
    51   1    -0.11   0.08  -0.23    -0.05   0.08   0.11    -0.04   0.00  -0.14
    52   1    -0.21  -0.04   0.09    -0.08   0.00   0.19    -0.10  -0.06   0.04
    53   1    -0.01   0.08  -0.04    -0.04   0.04  -0.04     0.15   0.07  -0.01
    54   1     0.20   0.17  -0.03     0.10   0.10  -0.09     0.14   0.06  -0.03
    55   1     0.02   0.12  -0.03    -0.17   0.05  -0.07     0.05   0.04  -0.03
    56   1     0.03   0.07   0.10    -0.07  -0.08  -0.21    -0.06  -0.11  -0.15
    57   1     0.10   0.08  -0.06    -0.19  -0.07   0.03    -0.18  -0.12   0.09
    58   1    -0.07  -0.02   0.11    -0.11  -0.07   0.11    -0.07  -0.09   0.07
    59   1    -0.06   0.05  -0.00    -0.04  -0.07  -0.08     0.00  -0.09  -0.09
    60   1    -0.02  -0.07  -0.10    -0.07  -0.08  -0.04    -0.04  -0.01   0.08
    61   1    -0.09   0.07  -0.03    -0.09   0.09  -0.00    -0.07   0.15   0.06
    62   1    -0.03  -0.17  -0.14    -0.05  -0.12  -0.08    -0.03   0.03   0.00
    63   1    -0.10   0.04  -0.06    -0.09   0.04  -0.02    -0.07   0.10   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --    501.3433               502.8407               518.0185
 Red. masses --      7.0615                10.7200                15.8081
 Frc consts  --      1.0457                 1.5970                 2.4993
 IR Inten    --      7.2304                 0.0293                 8.9198
 RamAct Fr= 1--    130.6404              7570.1177                10.6701
  Dep-P Fr= 1--      0.7342                 0.1643                 0.5558
  Dep-U Fr= 1--      0.8467                 0.2823                 0.7145
 Alpha2 Fr= 1--      0.0354               112.8198                 0.0395
 Beta2  Fr= 1--     18.4356               356.1755                 1.2707
 AlphaG Fr= 1--     34.3411            290637.6795               100.4254
 Gamma2 Fr= 1--  30898.9841           1355111.4035              1643.0172
 Delta2 Fr= 1--    381.6306            -14582.3240                 9.0216
 Raman1 Fr= 1--     522.562              30280.471                 42.680
 ROA1   Fr= 1-- 2978514.649           ************             158018.345
 CID1   Fr= 1--    5699.835               4280.781               3702.372
 Raman2 Fr= 1--     221.227               4274.106                 15.248
 ROA2   Fr= 1--  738522.572           32639332.277              39360.240
 CID2   Fr= 1--    3338.296               7636.529               2581.351
 Raman3 Fr= 1--     442.455               8548.212                 30.496
 ROA3   Fr= 1-- 2978514.649           ************             158018.345
 CID3   Fr= 1--    6731.794              15163.880               5181.635
 RC180  Fr= 1--       0.693                 -0.435                  0.429
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.04     0.04   0.04  -0.03    -0.01   0.01  -0.01
     2   6    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.15    -0.00   0.05   0.10     0.01  -0.02  -0.02
     4   6    -0.02   0.02   0.03    -0.07   0.02   0.04     0.06   0.03  -0.03
     5   6     0.00  -0.06  -0.05    -0.00  -0.08  -0.00     0.04   0.04  -0.01
     6   6     0.01   0.04  -0.02     0.01   0.00   0.02     0.00   0.02  -0.04
     7   6    -0.04  -0.10  -0.02     0.02  -0.09  -0.02    -0.02  -0.02   0.03
     8   8    -0.00   0.12   0.01    -0.06   0.12   0.00     0.06  -0.00   0.01
     9  29    -0.02  -0.04  -0.00    -0.00  -0.00   0.00     0.05  -0.12   0.00
    10   8     0.07   0.09  -0.05     0.17  -0.16  -0.05    -0.13   0.33   0.03
    11   6     0.06   0.01   0.15     0.15  -0.03   0.09    -0.12   0.06   0.05
    12   6     0.03   0.01   0.07     0.11   0.03   0.05    -0.16  -0.05   0.03
    13   9     0.02   0.02   0.12    -0.12  -0.03   0.21     0.23   0.09  -0.17
    14   6     0.02  -0.11  -0.05     0.01  -0.11  -0.05    -0.01   0.04   0.02
    15   6    -0.12  -0.05  -0.02    -0.03  -0.01  -0.01    -0.04  -0.01  -0.01
    16   6     0.01   0.01   0.04    -0.01   0.01  -0.01    -0.00  -0.01   0.06
    17   8    -0.00   0.12  -0.01     0.06  -0.12   0.00     0.05  -0.00  -0.01
    18   6    -0.02   0.02  -0.03     0.07  -0.02   0.04     0.05   0.03   0.02
    19   6     0.00  -0.07   0.05     0.00   0.08  -0.00     0.04   0.04   0.01
    20   6    -0.04  -0.10   0.02    -0.02   0.08  -0.02    -0.02  -0.02  -0.02
    21   6    -0.01  -0.02   0.06     0.01   0.02  -0.05     0.00  -0.02   0.01
    22   6     0.01   0.01  -0.15     0.00  -0.05   0.09     0.01  -0.02   0.01
    23   6     0.04   0.08   0.04    -0.04  -0.04  -0.03    -0.00   0.01   0.01
    24   6     0.01   0.04   0.02    -0.01  -0.00   0.02     0.00   0.02   0.03
    25   6     0.01   0.01  -0.04     0.01  -0.01  -0.01     0.00  -0.01  -0.05
    26   6    -0.12  -0.05   0.02     0.02   0.01  -0.01    -0.04  -0.01   0.01
    27   6     0.02  -0.11   0.05    -0.01   0.11  -0.05    -0.01   0.04  -0.01
    28   6     0.06   0.01  -0.15    -0.15   0.03   0.08    -0.12   0.07  -0.05
    29   6     0.03   0.01  -0.07    -0.11  -0.03   0.05    -0.16  -0.05  -0.02
    30   9     0.02   0.02  -0.12     0.12   0.03   0.20     0.22   0.09   0.17
    31   8     0.07   0.09   0.05    -0.17   0.16  -0.05    -0.13   0.34  -0.03
    32   9    -0.12  -0.07   0.06     0.14   0.01  -0.20     0.03  -0.06  -0.28
    33   9     0.08   0.04   0.12    -0.12  -0.11  -0.03    -0.10  -0.16   0.15
    34   9     0.08   0.04  -0.12     0.12   0.11  -0.03    -0.10  -0.15  -0.15
    35   9    -0.12  -0.07  -0.06    -0.14  -0.01  -0.21     0.02  -0.07   0.28
    36   1    -0.02   0.09  -0.04     0.01  -0.03   0.12    -0.02   0.03   0.12
    37   1     0.02   0.05   0.02    -0.03  -0.04   0.02    -0.05  -0.04  -0.00
    38   1     0.06   0.10  -0.09    -0.04  -0.06   0.04    -0.00   0.00   0.00
    39   1     0.15   0.11   0.11    -0.10  -0.08  -0.09     0.00   0.00   0.01
    40   1    -0.00  -0.04   0.14     0.05   0.06  -0.12     0.02  -0.01   0.02
    41   1     0.00   0.03  -0.19     0.03  -0.07   0.02     0.00  -0.01  -0.09
    42   1     0.09   0.09   0.08    -0.02  -0.08  -0.11     0.02   0.00  -0.03
    43   1     0.04   0.06  -0.07     0.05  -0.03   0.09     0.02   0.00  -0.03
    44   1    -0.13  -0.02   0.01     0.03  -0.04   0.01    -0.08  -0.02   0.03
    45   1    -0.07  -0.00   0.01    -0.03  -0.04  -0.00    -0.00   0.01   0.02
    46   1    -0.19  -0.05   0.02     0.10   0.02   0.01    -0.04   0.00   0.03
    47   1     0.01  -0.13   0.05    -0.01   0.15  -0.09    -0.03   0.01  -0.02
    48   1     0.01  -0.10   0.06    -0.00   0.10  -0.08    -0.04   0.07  -0.04
    49   1     0.02  -0.12   0.05     0.01   0.07  -0.05    -0.02  -0.00  -0.01
    50   1     0.09   0.09  -0.08     0.02   0.09  -0.11     0.02  -0.00   0.05
    51   1     0.00   0.03   0.19    -0.03   0.07   0.02     0.00  -0.02   0.11
    52   1     0.04   0.06   0.07    -0.05   0.03   0.09     0.03   0.00   0.04
    53   1    -0.19  -0.05  -0.02    -0.11  -0.02   0.01    -0.04   0.01  -0.03
    54   1    -0.07  -0.00  -0.01     0.03   0.04  -0.00    -0.01   0.01  -0.02
    55   1    -0.13  -0.02  -0.01    -0.04   0.04   0.01    -0.09  -0.02  -0.03
    56   1     0.05   0.10   0.09     0.04   0.06   0.04    -0.01   0.00  -0.01
    57   1     0.15   0.11  -0.11     0.10   0.08  -0.09    -0.00   0.00  -0.01
    58   1     0.02   0.05  -0.02     0.03   0.04   0.02    -0.06  -0.04  -0.00
    59   1    -0.02   0.09   0.04    -0.01   0.03   0.12    -0.02   0.03  -0.14
    60   1    -0.00  -0.03  -0.14    -0.05  -0.06  -0.12     0.02  -0.00  -0.02
    61   1     0.01  -0.10  -0.06     0.00  -0.10  -0.08    -0.04   0.08   0.04
    62   1     0.01  -0.13  -0.05     0.01  -0.16  -0.09    -0.03   0.02   0.02
    63   1     0.02  -0.12  -0.05    -0.01  -0.07  -0.06    -0.02  -0.01   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --    518.5098               524.1124               533.2607
 Red. masses --      5.2589                 6.0417                 7.3607
 Frc consts  --      0.8330                 0.9778                 1.2332
 IR Inten    --      1.0439                17.4483                 3.5004
 RamAct Fr= 1--   6670.9225               337.3621              7438.6539
  Dep-P Fr= 1--      0.1416                 0.7414                 0.1311
  Dep-U Fr= 1--      0.2480                 0.8515                 0.2318
 Alpha2 Fr= 1--    105.3496                 0.0495               120.6010
 Beta2  Fr= 1--    275.7414                47.8762               287.3726
 AlphaG Fr= 1-- 248631.6770                11.5804            260244.9263
 Gamma2 Fr= 1-- 998071.4348             86774.9402            830162.6663
 Delta2 Fr= 1-- -13103.9347              1051.1269            -17046.3426
 Raman1 Fr= 1--   26683.690               1349.448              29754.616
 ROA1   Fr= 1--95395531.834            8364030.323           79150133.004
 CID1   Fr= 1--    3575.050               6198.111               2660.096
 Raman2 Fr= 1--    3308.897                574.515               3448.471
 ROA2   Fr= 1--24058545.914            2074189.551           20060274.733
 CID2   Fr= 1--    7270.865               3610.332               5817.150
 Raman3 Fr= 1--    6617.795               1149.030               6896.942
 ROA3   Fr= 1--95395531.834            8364030.323           79150133.004
 CID3   Fr= 1--   14415.004               7279.211              11476.119
 RC180  Fr= 1--      -0.504                  0.703                 -0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.03     0.03   0.01   0.02     0.02   0.08  -0.03
     2   6     0.03   0.02   0.02    -0.03  -0.03  -0.03     0.02   0.03   0.01
     3   6     0.03  -0.02  -0.06    -0.02   0.02   0.12     0.02  -0.06   0.18
     4   6     0.11   0.02  -0.08    -0.10  -0.01   0.10     0.07  -0.01   0.04
     5   6     0.07   0.07  -0.03    -0.06  -0.07   0.01     0.03   0.01  -0.10
     6   6    -0.00   0.03  -0.09     0.01  -0.01   0.07     0.03   0.08  -0.10
     7   6    -0.05   0.01   0.08     0.02  -0.03  -0.09    -0.08  -0.00   0.02
     8   8     0.12   0.00   0.03    -0.10   0.03  -0.03     0.10   0.08   0.02
     9  29    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.00  -0.00  -0.01
    10   8    -0.03  -0.11  -0.04     0.03   0.17   0.04     0.00  -0.08   0.01
    11   6    -0.02  -0.03   0.05     0.02   0.05  -0.03     0.01  -0.03  -0.03
    12   6    -0.00  -0.01   0.06     0.00   0.01  -0.07     0.01   0.01  -0.10
    13   9     0.07   0.03   0.07    -0.08  -0.03  -0.08    -0.12  -0.01  -0.08
    14   6    -0.01   0.05   0.02     0.01  -0.07  -0.03     0.02  -0.06  -0.03
    15   6    -0.07  -0.03  -0.03     0.01   0.00   0.02    -0.14  -0.06  -0.03
    16   6    -0.02  -0.03   0.15     0.02   0.03  -0.14    -0.01  -0.02   0.08
    17   8    -0.12  -0.00   0.03    -0.10   0.03   0.03    -0.10  -0.08   0.02
    18   6    -0.11  -0.02  -0.08    -0.09  -0.01  -0.10    -0.07   0.01   0.04
    19   6    -0.07  -0.07  -0.03    -0.06  -0.07  -0.01    -0.03  -0.01  -0.10
    20   6     0.05  -0.01   0.08     0.02  -0.03   0.09     0.08   0.00   0.02
    21   6    -0.03  -0.02   0.02    -0.03  -0.03   0.03    -0.02  -0.03   0.01
    22   6    -0.03   0.02  -0.06    -0.02   0.02  -0.12    -0.02   0.06   0.18
    23   6     0.02  -0.01  -0.03     0.03   0.01  -0.02    -0.02  -0.08  -0.03
    24   6     0.00  -0.03  -0.09     0.01  -0.01  -0.07    -0.03  -0.08  -0.10
    25   6     0.02   0.03   0.15     0.02   0.03   0.14     0.01   0.02   0.08
    26   6     0.07   0.03  -0.03     0.01   0.00  -0.02     0.14   0.06  -0.03
    27   6     0.01  -0.05   0.02     0.01  -0.07   0.03    -0.02   0.06  -0.03
    28   6     0.02   0.03   0.05     0.02   0.05   0.03    -0.01   0.03  -0.03
    29   6     0.01   0.01   0.06     0.00   0.01   0.07    -0.01  -0.01  -0.10
    30   9    -0.07  -0.03   0.06    -0.08  -0.03   0.08     0.12   0.01  -0.08
    31   8     0.04   0.10  -0.04     0.03   0.17  -0.04    -0.00   0.08   0.01
    32   9     0.09   0.04   0.02     0.10   0.03   0.01    -0.14  -0.07  -0.04
    33   9    -0.01  -0.03  -0.12    -0.00  -0.05  -0.12     0.04   0.02   0.16
    34   9     0.01   0.03  -0.11    -0.00  -0.05   0.12    -0.04  -0.02   0.16
    35   9    -0.09  -0.04   0.01     0.10   0.03  -0.01     0.14   0.07  -0.04
    36   1     0.04  -0.05  -0.28     0.04  -0.02  -0.27     0.01  -0.11  -0.13
    37   1     0.11   0.08  -0.01     0.11   0.09   0.01     0.00  -0.03  -0.08
    38   1     0.03   0.01  -0.14     0.05   0.04  -0.16    -0.02  -0.06   0.00
    39   1     0.10   0.04   0.04     0.14   0.06   0.07    -0.05  -0.05  -0.02
    40   1    -0.07  -0.05   0.01    -0.06  -0.05   0.04    -0.12  -0.09  -0.01
    41   1    -0.00   0.08   0.21     0.01   0.07   0.12    -0.03   0.09   0.22
    42   1    -0.01   0.05   0.18     0.03   0.07   0.19    -0.05   0.03   0.09
    43   1    -0.05   0.02   0.08    -0.01   0.04   0.07    -0.10  -0.02  -0.02
    44   1     0.20   0.09  -0.10     0.13   0.07  -0.10     0.18   0.10  -0.06
    45   1     0.02   0.01  -0.08    -0.03  -0.01  -0.07     0.14   0.07  -0.05
    46   1    -0.03  -0.02  -0.09    -0.10  -0.05  -0.08     0.07   0.04  -0.06
    47   1     0.04  -0.05   0.06     0.03  -0.06   0.05     0.01   0.02   0.04
    48   1     0.05  -0.11   0.08     0.04  -0.12   0.08    -0.01   0.05   0.02
    49   1     0.01   0.04   0.02     0.01   0.00   0.03    -0.04   0.16  -0.02
    50   1     0.01  -0.05   0.18     0.03   0.07  -0.19     0.05  -0.03   0.09
    51   1     0.00  -0.08   0.21     0.01   0.07  -0.12     0.03  -0.09   0.23
    52   1     0.05  -0.02   0.08    -0.01   0.04  -0.07     0.10   0.02  -0.02
    53   1     0.03   0.02  -0.09    -0.10  -0.05   0.08    -0.07  -0.04  -0.06
    54   1    -0.02  -0.01  -0.08    -0.03  -0.01   0.07    -0.14  -0.07  -0.05
    55   1    -0.20  -0.09  -0.10     0.13   0.07   0.10    -0.18  -0.10  -0.06
    56   1    -0.03  -0.01  -0.14     0.05   0.04   0.16     0.02   0.06   0.00
    57   1    -0.10  -0.04   0.04     0.14   0.06  -0.07     0.05   0.06  -0.02
    58   1    -0.11  -0.08  -0.01     0.11   0.09  -0.01    -0.00   0.03  -0.09
    59   1    -0.04   0.05  -0.28     0.04  -0.02   0.27    -0.01   0.11  -0.14
    60   1     0.07   0.05   0.01    -0.06  -0.05  -0.04     0.12   0.09  -0.01
    61   1    -0.04   0.11   0.07     0.04  -0.12  -0.08     0.01  -0.05   0.02
    62   1    -0.04   0.05   0.06     0.03  -0.06  -0.05    -0.01  -0.02   0.04
    63   1    -0.01  -0.04   0.02     0.01   0.00  -0.03     0.04  -0.16  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --    535.2729               567.1751               570.8230
 Red. masses --      6.3113                 4.3770                 4.0841
 Frc consts  --      1.0654                 0.8296                 0.7841
 IR Inten    --     26.3122                 0.5573                27.6033
 RamAct Fr= 1--     76.4743              1469.9699               416.1354
  Dep-P Fr= 1--      0.7496                 0.1454                 0.7419
  Dep-U Fr= 1--      0.8569                 0.2538                 0.8518
 Alpha2 Fr= 1--      0.0005                22.9917                 0.0576
 Beta2  Fr= 1--     10.9215                62.1916                59.0774
 AlphaG Fr= 1--     -3.7898             53856.9835                 7.2559
 Gamma2 Fr= 1--  21102.9326            200953.9992            107728.2697
 Delta2 Fr= 1--    245.0473             -3356.6566              1261.5246
 Raman1 Fr= 1--     305.897               5879.880               1664.542
 ROA1   Fr= 1-- 2033723.039           19184170.917           10382282.680
 CID1   Fr= 1--    6648.389               3262.681               6237.323
 Raman2 Fr= 1--     131.058                746.300                708.929
 ROA2   Fr= 1--  504510.003            4849749.235            2575386.277
 CID2   Fr= 1--    3849.505               6498.393               3632.784
 Raman3 Fr= 1--     262.117               1492.600               1417.858
 ROA3   Fr= 1-- 2033723.039           19184170.917           10382282.680
 CID3   Fr= 1--    7758.843              12852.859               7322.511
 RC180  Fr= 1--       0.714                 -0.492                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.03     0.02  -0.04  -0.01     0.02  -0.04  -0.02
     2   6    -0.02  -0.03  -0.01    -0.05  -0.09  -0.07    -0.04  -0.09  -0.07
     3   6    -0.02   0.05  -0.15    -0.01   0.00   0.05    -0.01  -0.00   0.05
     4   6    -0.08  -0.00  -0.02     0.07   0.03   0.06     0.07   0.02   0.06
     5   6    -0.06  -0.02   0.09     0.04   0.08   0.05     0.05   0.09   0.05
     6   6    -0.03  -0.08   0.12     0.02  -0.01   0.00     0.02  -0.01  -0.01
     7   6     0.08   0.01  -0.04    -0.02  -0.08  -0.06    -0.02  -0.08  -0.06
     8   8    -0.11  -0.08  -0.02     0.05  -0.11  -0.03     0.06  -0.10  -0.03
     9  29     0.04   0.01  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    10   8     0.01   0.07  -0.01    -0.05   0.04  -0.00    -0.04   0.01  -0.00
    11   6     0.01   0.02   0.01    -0.04   0.05   0.02    -0.03   0.03   0.02
    12   6     0.01  -0.00   0.08     0.03   0.04   0.00     0.02   0.03  -0.00
    13   9     0.07  -0.01   0.09    -0.03  -0.05   0.02    -0.02  -0.03   0.01
    14   6    -0.01   0.04   0.02    -0.04   0.16   0.06    -0.04   0.17   0.07
    15   6     0.13   0.05   0.03    -0.10  -0.03  -0.00    -0.10  -0.04  -0.00
    16   6     0.01   0.03  -0.12     0.02   0.02  -0.06     0.02   0.02  -0.05
    17   8    -0.11  -0.08   0.02    -0.05   0.11  -0.03     0.06  -0.10   0.03
    18   6    -0.08  -0.00   0.02    -0.07  -0.03   0.06     0.07   0.02  -0.06
    19   6    -0.06  -0.02  -0.09    -0.04  -0.08   0.05     0.05   0.09  -0.05
    20   6     0.08   0.01   0.04     0.01   0.08  -0.06    -0.02  -0.08   0.06
    21   6    -0.02  -0.03   0.01     0.05   0.09  -0.07    -0.04  -0.09   0.07
    22   6    -0.02   0.05   0.15     0.01  -0.00   0.05    -0.01  -0.00  -0.05
    23   6    -0.01  -0.08  -0.03    -0.02   0.04  -0.01     0.02  -0.04   0.02
    24   6    -0.03  -0.08  -0.12    -0.02   0.01   0.00     0.02  -0.01   0.01
    25   6     0.01   0.03   0.12    -0.02  -0.02  -0.06     0.02   0.02   0.05
    26   6     0.13   0.05  -0.03     0.10   0.03   0.00    -0.10  -0.04   0.00
    27   6    -0.02   0.05  -0.02     0.04  -0.16   0.06    -0.04   0.17  -0.07
    28   6     0.01   0.02  -0.01     0.04  -0.05   0.02    -0.03   0.03  -0.02
    29   6     0.01  -0.00  -0.08    -0.03  -0.04   0.00     0.02   0.03   0.00
    30   9     0.07  -0.01  -0.09     0.03   0.05   0.02    -0.02  -0.03  -0.01
    31   8     0.01   0.07   0.01     0.05  -0.04  -0.00    -0.04   0.01   0.00
    32   9    -0.11  -0.05   0.00    -0.00   0.03  -0.05     0.01  -0.02   0.03
    33   9     0.06   0.03   0.12    -0.07  -0.03   0.03     0.05   0.02  -0.02
    34   9     0.06   0.03  -0.11     0.07   0.03   0.03     0.04   0.02   0.02
    35   9    -0.11  -0.05  -0.00     0.00  -0.03  -0.05     0.01  -0.02  -0.03
    36   1     0.02  -0.11  -0.20    -0.02   0.02  -0.10     0.02  -0.02   0.12
    37   1     0.04  -0.00  -0.07     0.02   0.06   0.03    -0.02  -0.07  -0.02
    38   1    -0.01  -0.05  -0.03    -0.04   0.03   0.14     0.04  -0.03  -0.12
    39   1    -0.02  -0.05  -0.01    -0.13  -0.03  -0.10     0.12   0.02   0.10
    40   1    -0.12  -0.09  -0.02     0.07   0.10  -0.08    -0.05  -0.09   0.08
    41   1    -0.02   0.09   0.24    -0.01  -0.07   0.05     0.01   0.06  -0.06
    42   1    -0.04   0.04   0.12    -0.09  -0.11  -0.17     0.09   0.10   0.17
    43   1    -0.09  -0.00   0.02    -0.03  -0.06   0.01     0.03   0.06  -0.01
    44   1     0.21   0.11  -0.08     0.07  -0.05   0.04    -0.09   0.05  -0.04
    45   1     0.10   0.05  -0.07     0.04  -0.04   0.04    -0.04   0.04  -0.03
    46   1     0.05   0.02  -0.08     0.26   0.05   0.02    -0.26  -0.05  -0.02
    47   1     0.02   0.02   0.04     0.06  -0.07   0.01    -0.06   0.08  -0.01
    48   1     0.01   0.01   0.04     0.11  -0.25   0.09    -0.11   0.27  -0.10
    49   1    -0.03   0.17  -0.02     0.10  -0.16   0.04    -0.10   0.17  -0.05
    50   1    -0.03   0.04  -0.12     0.09   0.11  -0.17     0.09   0.10  -0.17
    51   1    -0.02   0.09  -0.24     0.01   0.07   0.05     0.01   0.06   0.06
    52   1    -0.09  -0.00  -0.02     0.03   0.06   0.01     0.03   0.06   0.01
    53   1     0.05   0.02   0.08    -0.26  -0.05   0.02    -0.26  -0.05   0.02
    54   1     0.10   0.05   0.06    -0.04   0.04   0.04    -0.04   0.04   0.03
    55   1     0.21   0.11   0.08    -0.07   0.05   0.04    -0.09   0.05   0.04
    56   1    -0.01  -0.05   0.03     0.04  -0.03   0.14     0.04  -0.03   0.12
    57   1    -0.02  -0.04   0.01     0.13   0.03  -0.10     0.12   0.02  -0.10
    58   1     0.04  -0.00   0.07    -0.02  -0.06   0.03    -0.02  -0.07   0.02
    59   1     0.02  -0.11   0.20     0.02  -0.02  -0.10     0.02  -0.02  -0.12
    60   1    -0.12  -0.09   0.02    -0.07  -0.10  -0.08    -0.05  -0.09  -0.08
    61   1     0.01   0.01  -0.04    -0.11   0.25   0.09    -0.11   0.27   0.10
    62   1     0.02   0.02  -0.04    -0.06   0.07   0.01    -0.06   0.08   0.01
    63   1    -0.03   0.16   0.02    -0.10   0.16   0.04    -0.10   0.17   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --    593.2573               594.4108               607.2054
 Red. masses --      5.2095                 5.4666                 6.0423
 Frc consts  --      1.0803                 1.1380                 1.3126
 IR Inten    --      0.0017                40.7914                 0.3030
 RamAct Fr= 1--  13791.1717                53.0024                45.2512
  Dep-P Fr= 1--      0.1545                 0.7465                 0.1441
  Dep-U Fr= 1--      0.2676                 0.8548                 0.2518
 Alpha2 Fr= 1--    210.7796                 0.0032                 0.7101
 Beta2  Fr= 1--    615.1556                 7.5514                 1.8994
 AlphaG Fr= 1-- 537410.9698                -3.1222              1077.0629
 Gamma2 Fr= 1--2343723.4239             12884.9837              4840.4515
 Delta2 Fr= 1-- -28194.8889               163.7867                29.8317
 Raman1 Fr= 1--   55164.687                212.010                181.005
 ROA1   Fr= 1--************            1242199.612             465637.962
 CID1   Fr= 1--    4062.295               5859.162               2572.518
 Raman2 Fr= 1--    7381.867                 90.616                 22.793
 ROA2   Fr= 1--56474921.285             307929.315             115932.184
 CID2   Fr= 1--    7650.493               3398.167               5086.359
 Raman3 Fr= 1--   14763.733                181.233                 45.586
 ROA3   Fr= 1--************            1242199.612             465637.962
 CID3   Fr= 1--   15178.763               6854.173              10214.601
 RC180  Fr= 1--      -0.465                  0.710                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.03     0.00  -0.05   0.03    -0.09   0.03   0.14
     2   6    -0.05   0.02  -0.01     0.05  -0.01   0.02    -0.02   0.00   0.11
     3   6    -0.07   0.05   0.05     0.06  -0.05  -0.05    -0.01  -0.06  -0.08
     4   6    -0.04   0.03  -0.03     0.03  -0.02   0.03     0.07  -0.04  -0.10
     5   6     0.05  -0.00  -0.06    -0.05  -0.01   0.06    -0.02  -0.03  -0.04
     6   6     0.03   0.05  -0.10    -0.03  -0.05   0.10    -0.07   0.05   0.07
     7   6     0.07  -0.03   0.09    -0.07   0.04  -0.09    -0.04   0.08  -0.03
     8   8    -0.09  -0.12  -0.01     0.09   0.14   0.01     0.13   0.01   0.03
     9  29    -0.00  -0.00  -0.00    -0.04  -0.01   0.00     0.00  -0.00  -0.00
    10   8    -0.09   0.06   0.00     0.10  -0.06  -0.00    -0.11   0.06   0.02
    11   6    -0.08   0.07   0.03     0.09  -0.06  -0.03    -0.08   0.01  -0.03
    12   6     0.02   0.05  -0.00    -0.02  -0.05   0.00     0.05   0.05   0.01
    13   9    -0.03  -0.05  -0.01     0.03   0.06   0.01    -0.02  -0.06   0.05
    14   6     0.02  -0.08  -0.04    -0.02   0.06   0.03     0.03  -0.09  -0.05
    15   6     0.12   0.05  -0.00    -0.12  -0.05   0.00    -0.01   0.00   0.01
    16   6    -0.05  -0.05   0.15     0.05   0.05  -0.15     0.04   0.02  -0.10
    17   8     0.09   0.12  -0.01     0.09   0.14  -0.01    -0.13  -0.01   0.03
    18   6     0.04  -0.03  -0.03     0.03  -0.02  -0.02    -0.07   0.04  -0.10
    19   6    -0.05   0.00  -0.06    -0.05  -0.01  -0.06     0.02   0.03  -0.04
    20   6    -0.07   0.03   0.09    -0.07   0.04   0.09     0.04  -0.08  -0.03
    21   6     0.05  -0.02  -0.01     0.05  -0.01  -0.02     0.02  -0.00   0.11
    22   6     0.07  -0.05   0.05     0.06  -0.05   0.05     0.01   0.06  -0.08
    23   6     0.01  -0.05  -0.03     0.00  -0.05  -0.03     0.09  -0.03   0.14
    24   6    -0.03  -0.05  -0.10    -0.03  -0.05  -0.10     0.07  -0.05   0.07
    25   6     0.05   0.05   0.15     0.05   0.05   0.15    -0.04  -0.02  -0.10
    26   6    -0.12  -0.05  -0.00    -0.12  -0.05  -0.00     0.01  -0.00   0.01
    27   6    -0.02   0.08  -0.04    -0.02   0.06  -0.03    -0.03   0.09  -0.05
    28   6     0.08  -0.07   0.03     0.09  -0.06   0.03     0.08  -0.01  -0.03
    29   6    -0.02  -0.05  -0.00    -0.02  -0.05  -0.00    -0.05  -0.05   0.01
    30   9     0.03   0.05  -0.01     0.03   0.06  -0.01     0.02   0.06   0.05
    31   8     0.09  -0.07   0.00     0.10  -0.06   0.00     0.11  -0.06   0.02
    32   9    -0.02   0.05  -0.04    -0.02   0.05  -0.04    -0.00   0.04  -0.08
    33   9    -0.08  -0.03   0.03    -0.09  -0.03   0.04    -0.09  -0.09   0.03
    34   9     0.08   0.03   0.03    -0.09  -0.03  -0.04     0.09   0.09   0.03
    35   9     0.02  -0.05  -0.04    -0.02   0.05   0.04     0.00  -0.04  -0.08
    36   1     0.00  -0.07  -0.16    -0.00  -0.07  -0.17     0.04  -0.02   0.10
    37   1     0.02   0.00  -0.06     0.02   0.01  -0.07     0.04  -0.08   0.05
    38   1    -0.00  -0.01   0.04    -0.01  -0.01   0.04     0.10  -0.06   0.13
    39   1    -0.04  -0.04  -0.04    -0.05  -0.04  -0.05     0.08  -0.01   0.15
    40   1     0.10   0.05  -0.14     0.10   0.05  -0.15    -0.05  -0.06   0.16
    41   1     0.06   0.03   0.03     0.06   0.03   0.04    -0.07   0.05  -0.10
    42   1     0.11   0.05   0.16     0.11   0.05   0.15    -0.03   0.06   0.02
    43   1     0.11   0.07   0.21     0.11   0.07   0.22    -0.10  -0.00  -0.24
    44   1     0.02  -0.03  -0.07     0.02  -0.03  -0.07    -0.10   0.02   0.04
    45   1    -0.23  -0.13  -0.04    -0.24  -0.13  -0.04     0.12   0.09   0.04
    46   1    -0.13  -0.10  -0.06    -0.12  -0.10  -0.06    -0.04   0.03   0.04
    47   1     0.01   0.08  -0.00     0.01   0.06   0.01    -0.06   0.03  -0.02
    48   1     0.02   0.02   0.02     0.03   0.00   0.03    -0.09   0.17  -0.09
    49   1    -0.01   0.18  -0.04    -0.01   0.15  -0.04    -0.07   0.07  -0.03
    50   1    -0.11  -0.05   0.16     0.11   0.05  -0.15     0.03  -0.06   0.02
    51   1    -0.06  -0.03   0.03     0.06   0.02  -0.04     0.07  -0.05  -0.10
    52   1    -0.11  -0.07   0.21     0.11   0.07  -0.22     0.10   0.00  -0.24
    53   1     0.13   0.10  -0.06    -0.12  -0.10   0.06     0.04  -0.03   0.04
    54   1     0.23   0.13  -0.04    -0.24  -0.13   0.04    -0.12  -0.09   0.04
    55   1    -0.02   0.03  -0.07     0.02  -0.03   0.07     0.10  -0.02   0.04
    56   1     0.00   0.01   0.04    -0.01  -0.01  -0.04    -0.10   0.06   0.13
    57   1     0.04   0.04  -0.04    -0.05  -0.04   0.05    -0.08   0.01   0.15
    58   1    -0.02  -0.00  -0.06     0.02   0.01   0.07    -0.04   0.08   0.05
    59   1    -0.00   0.07  -0.16    -0.00  -0.07   0.17    -0.04   0.02   0.10
    60   1    -0.10  -0.05  -0.14     0.10   0.05   0.15     0.04   0.06   0.16
    61   1    -0.02  -0.02   0.02     0.03   0.00  -0.03     0.09  -0.17  -0.09
    62   1    -0.01  -0.08  -0.00     0.02   0.06  -0.01     0.06  -0.03  -0.02
    63   1     0.01  -0.18  -0.04    -0.01   0.16   0.04     0.07  -0.07  -0.03
                     61                     62                     63
                      A                      A                      A
 Frequencies --    619.9678               655.7470               657.5680
 Red. masses --      6.5830                 4.6572                 4.7417
 Frc consts  --      1.4908                 1.1799                 1.2080
 IR Inten    --      3.9578                 0.4594                23.5506
 RamAct Fr= 1--     97.6644              1065.4553                35.2511
  Dep-P Fr= 1--      0.7431                 0.1172                 0.7499
  Dep-U Fr= 1--      0.8526                 0.2098                 0.8571
 Alpha2 Fr= 1--      0.0114                17.8819                 0.0000
 Beta2  Fr= 1--     13.8788                37.2530                 5.0356
 AlphaG Fr= 1--     -4.2510             36239.3283                -0.6327
 Gamma2 Fr= 1--  28446.1969             83201.9014              8278.6707
 Delta2 Fr= 1--    318.3821             -2543.8057                77.9069
 Raman1 Fr= 1--     390.657               4261.821                141.005
 ROA1   Fr= 1-- 2741023.134            7905980.749             797245.405
 CID1   Fr= 1--    7016.437               1855.071               5654.041
 Raman2 Fr= 1--     166.546                447.036                 60.427
 ROA2   Fr= 1--  680161.669            2017196.078             198064.841
 CID2   Fr= 1--    4083.925               4512.378               3277.739
 Raman3 Fr= 1--     333.092                894.072                120.855
 ROA3   Fr= 1-- 2741023.134            7905980.749             797245.405
 CID3   Fr= 1--    8229.023               8842.664               6596.735
 RC180  Fr= 1--       0.705                 -0.580                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.17    -0.11   0.03   0.15    -0.11   0.02   0.14
     2   6    -0.05  -0.02   0.12    -0.13  -0.07   0.05    -0.14  -0.07   0.04
     3   6    -0.02  -0.05  -0.07    -0.02   0.02  -0.00    -0.02   0.02   0.01
     4   6     0.11  -0.02  -0.12     0.03   0.03  -0.12     0.00   0.03  -0.11
     5   6     0.03  -0.01  -0.05     0.08   0.04  -0.06     0.06   0.04  -0.06
     6   6    -0.07   0.07   0.06    -0.02   0.09  -0.02    -0.02   0.08  -0.03
     7   6    -0.03   0.05  -0.04     0.05  -0.10  -0.01     0.05  -0.11  -0.01
     8   8     0.15  -0.00   0.04     0.01  -0.04   0.03    -0.02  -0.05   0.02
     9  29    -0.00  -0.04   0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
    10   8    -0.11   0.08   0.02     0.12   0.01   0.00     0.14   0.00  -0.00
    11   6    -0.09   0.03  -0.02     0.09  -0.04   0.02     0.10  -0.05   0.02
    12   6     0.03   0.05   0.01    -0.00  -0.05  -0.01    -0.00  -0.06  -0.02
    13   9    -0.02  -0.06   0.03     0.00   0.04  -0.00     0.00   0.05   0.00
    14   6     0.03  -0.09  -0.05     0.01  -0.00  -0.02     0.01   0.01  -0.01
    15   6    -0.03  -0.01   0.00     0.02  -0.00   0.00     0.04   0.00   0.00
    16   6     0.04   0.03  -0.10     0.02  -0.01  -0.03     0.01  -0.01  -0.01
    17   8     0.15  -0.00  -0.04    -0.01   0.05   0.03    -0.02  -0.05  -0.02
    18   6     0.11  -0.02   0.12    -0.03  -0.03  -0.12     0.00   0.03   0.11
    19   6     0.03  -0.01   0.05    -0.08  -0.04  -0.06     0.06   0.04   0.06
    20   6    -0.04   0.05   0.04    -0.05   0.10  -0.01     0.05  -0.11   0.01
    21   6    -0.05  -0.02  -0.12     0.13   0.07   0.05    -0.13  -0.07  -0.04
    22   6    -0.02  -0.05   0.07     0.02  -0.02  -0.00    -0.02   0.02  -0.01
    23   6    -0.11   0.04  -0.17     0.12  -0.03   0.16    -0.10   0.02  -0.13
    24   6    -0.07   0.07  -0.06     0.02  -0.09  -0.02    -0.02   0.08   0.03
    25   6     0.04   0.03   0.10    -0.02   0.01  -0.03     0.01  -0.01   0.01
    26   6    -0.03  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.00  -0.00
    27   6     0.03  -0.09   0.05    -0.01  -0.00  -0.02     0.01   0.01   0.01
    28   6    -0.09   0.03   0.02    -0.09   0.04   0.02     0.10  -0.04  -0.02
    29   6     0.03   0.05  -0.01     0.00   0.05  -0.01    -0.00  -0.06   0.02
    30   9    -0.02  -0.06  -0.03    -0.00  -0.04  -0.00     0.00   0.05  -0.00
    31   8    -0.11   0.08  -0.02    -0.12  -0.01   0.00     0.14   0.00   0.00
    32   9     0.01  -0.04   0.06    -0.02  -0.04   0.01     0.02   0.05  -0.01
    33   9     0.09   0.07  -0.03     0.07   0.04  -0.01    -0.08  -0.05   0.01
    34   9     0.09   0.07   0.03    -0.06  -0.04  -0.01    -0.08  -0.05  -0.01
    35   9     0.01  -0.04  -0.06     0.02   0.04   0.01     0.02   0.05   0.01
    36   1    -0.05   0.05  -0.02     0.00  -0.06  -0.19     0.01   0.04   0.17
    37   1    -0.09   0.06  -0.07     0.09  -0.01   0.02    -0.06   0.01   0.00
    38   1    -0.11   0.06  -0.19     0.10  -0.01   0.33    -0.08   0.00  -0.32
    39   1    -0.07   0.03  -0.16    -0.02  -0.05   0.08     0.04   0.05  -0.05
    40   1     0.02   0.03  -0.14     0.18   0.13  -0.08    -0.19  -0.14   0.10
    41   1     0.07  -0.04   0.09    -0.00  -0.03  -0.04    -0.01   0.03   0.03
    42   1     0.04  -0.05   0.01    -0.02  -0.03  -0.09     0.01   0.04   0.07
    43   1     0.10   0.01   0.23     0.02   0.00   0.05    -0.04  -0.01  -0.08
    44   1     0.06  -0.00  -0.04     0.01  -0.10   0.02    -0.00   0.10  -0.02
    45   1    -0.11  -0.05  -0.04    -0.15  -0.14   0.05     0.18   0.15  -0.04
    46   1    -0.04  -0.03  -0.03     0.19  -0.01  -0.01    -0.17   0.02   0.01
    47   1     0.04  -0.07   0.04     0.02   0.05  -0.02    -0.02  -0.02   0.01
    48   1     0.05  -0.12   0.07     0.05  -0.09   0.03    -0.05   0.09  -0.03
    49   1     0.05  -0.09   0.04     0.02   0.07  -0.03    -0.02  -0.05   0.02
    50   1     0.04  -0.05  -0.01     0.02   0.03  -0.08     0.01   0.04  -0.08
    51   1     0.07  -0.04  -0.09     0.00   0.03  -0.04    -0.01   0.03  -0.03
    52   1     0.10   0.01  -0.23    -0.02  -0.00   0.05    -0.04  -0.01   0.09
    53   1    -0.04  -0.03   0.03    -0.19   0.01  -0.01    -0.17   0.02  -0.01
    54   1    -0.11  -0.05   0.04     0.15   0.14   0.05     0.18   0.15   0.04
    55   1     0.06  -0.00   0.04    -0.01   0.09   0.02    -0.00   0.10   0.02
    56   1    -0.11   0.06   0.19    -0.10   0.01   0.32    -0.08   0.00   0.32
    57   1    -0.07   0.03   0.16     0.02   0.05   0.08     0.04   0.05   0.05
    58   1    -0.09   0.06   0.07    -0.08   0.01   0.02    -0.06   0.01  -0.00
    59   1    -0.05   0.05   0.02    -0.00   0.05  -0.19     0.01   0.04  -0.18
    60   1     0.02   0.03   0.14    -0.17  -0.13  -0.08    -0.19  -0.14  -0.10
    61   1     0.05  -0.12  -0.07    -0.05   0.08   0.02    -0.05   0.09   0.03
    62   1     0.04  -0.07  -0.04    -0.02  -0.05  -0.02    -0.02  -0.02  -0.01
    63   1     0.05  -0.09  -0.04    -0.02  -0.06  -0.03    -0.02  -0.05  -0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --    696.1093               701.0676               722.5312
 Red. masses --      4.8409                 5.0446                 6.7575
 Frc consts  --      1.3821                 1.4608                 2.0785
 IR Inten    --      0.1121                17.0139                 2.0012
 RamAct Fr= 1--    169.6959               171.5163                24.9219
  Dep-P Fr= 1--      0.1026                 0.7419                 0.6863
  Dep-U Fr= 1--      0.1861                 0.8519                 0.8140
 Alpha2 Fr= 1--      2.9521                 0.0235                 0.0279
 Beta2  Fr= 1--      5.2643                24.3512                 3.3810
 AlphaG Fr= 1--    968.8433                 4.4411               369.2446
 Gamma2 Fr= 1--  -1360.3956             40884.7181             11806.5104
 Delta2 Fr= 1--    -83.4701               527.1140                86.3653
 Raman1 Fr= 1--     678.784                686.065                 99.688
 ROA1   Fr= 1-- -133269.025            3941800.581            1136188.690
 CID1   Fr= 1--    -196.335               5745.519              11397.492
 Raman2 Fr= 1--      63.171                292.214                 40.572
 ROA2   Fr= 1--  -31981.735             977016.321             282665.328
 CID2   Fr= 1--    -506.269               3343.495               6967.018
 Raman3 Fr= 1--     126.343                584.428                 81.144
 ROA3   Fr= 1-- -133269.025            3941800.581            1136188.690
 CID3   Fr= 1--   -1054.820               6744.714              14002.155
 RC180  Fr= 1--      -0.628                  0.704                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02  -0.02    -0.01   0.02   0.02     0.02  -0.00   0.03
     2   6    -0.00  -0.07  -0.05    -0.02   0.08   0.04     0.17  -0.05   0.05
     3   6    -0.00  -0.13   0.00    -0.01   0.13   0.00     0.07   0.02   0.01
     4   6    -0.02  -0.08  -0.07     0.01   0.07   0.08    -0.02   0.05  -0.21
     5   6    -0.12   0.02  -0.04     0.13  -0.01   0.04    -0.10   0.00  -0.04
     6   6    -0.02  -0.01  -0.03     0.02   0.01   0.02    -0.06  -0.01   0.06
     7   6     0.02  -0.02   0.02    -0.02   0.02  -0.01     0.05  -0.12  -0.01
     8   8     0.02   0.08   0.02    -0.03  -0.10  -0.03    -0.04   0.04   0.05
     9  29    -0.00  -0.00  -0.00     0.00   0.03  -0.00     0.00   0.00  -0.00
    10   8    -0.03   0.08  -0.00     0.05  -0.10   0.00    -0.01  -0.06  -0.05
    11   6    -0.02  -0.11   0.04     0.03   0.10  -0.05    -0.01   0.04   0.22
    12   6     0.04  -0.06  -0.01    -0.04   0.05   0.01    -0.04   0.09  -0.01
    13   9     0.00   0.01   0.08    -0.00  -0.01  -0.07    -0.08   0.02  -0.15
    14   6    -0.05   0.13   0.04     0.05  -0.13  -0.04    -0.03   0.06   0.01
    15   6     0.10   0.04   0.01    -0.09  -0.03  -0.00    -0.00  -0.02  -0.00
    16   6    -0.02  -0.02   0.08     0.02   0.02  -0.07     0.02  -0.01  -0.03
    17   8    -0.02  -0.08   0.02    -0.03  -0.10   0.03     0.04  -0.04   0.05
    18   6     0.02   0.08  -0.07     0.01   0.07  -0.08     0.02  -0.04  -0.20
    19   6     0.12  -0.02  -0.04     0.13  -0.01  -0.04     0.09  -0.00  -0.04
    20   6    -0.02   0.02   0.02    -0.02   0.02   0.01    -0.05   0.12  -0.01
    21   6     0.00   0.07  -0.05    -0.02   0.08  -0.04    -0.16   0.05   0.05
    22   6     0.00   0.13   0.00    -0.01   0.14  -0.00    -0.06  -0.02   0.01
    23   6    -0.00   0.02  -0.02    -0.01   0.02  -0.02    -0.02   0.00   0.03
    24   6     0.02   0.01  -0.03     0.02   0.01  -0.02     0.06   0.01   0.06
    25   6     0.02   0.02   0.08     0.02   0.02   0.07    -0.02   0.01  -0.02
    26   6    -0.10  -0.04   0.01    -0.09  -0.03   0.00    -0.00   0.02  -0.00
    27   6     0.05  -0.13   0.04     0.05  -0.13   0.04     0.03  -0.06   0.01
    28   6     0.02   0.11   0.04     0.03   0.10   0.05     0.01  -0.04   0.21
    29   6    -0.04   0.06  -0.01    -0.04   0.05  -0.01     0.04  -0.08  -0.01
    30   9    -0.00  -0.01   0.08    -0.00  -0.01   0.07     0.07  -0.02  -0.14
    31   8     0.03  -0.08  -0.00     0.05  -0.10  -0.00     0.01   0.06  -0.05
    32   9    -0.07  -0.03  -0.09    -0.07  -0.03  -0.09     0.00   0.05   0.05
    33   9     0.05  -0.02   0.01     0.04  -0.03   0.01    -0.08  -0.01   0.03
    34   9    -0.05   0.02   0.01     0.04  -0.03  -0.01     0.08   0.01   0.04
    35   9     0.07   0.03  -0.09    -0.07  -0.03   0.09    -0.00  -0.05   0.05
    36   1    -0.05   0.06   0.11    -0.05   0.06   0.13     0.07  -0.01   0.10
    37   1    -0.11  -0.08  -0.14    -0.11  -0.08  -0.13    -0.00   0.03  -0.01
    38   1    -0.02  -0.04   0.09    -0.01  -0.06   0.07     0.01  -0.07  -0.21
    39   1    -0.12   0.01  -0.09    -0.11   0.01  -0.08     0.13   0.03   0.12
    40   1    -0.04   0.06  -0.10    -0.07   0.06  -0.09    -0.16   0.06   0.02
    41   1     0.03  -0.00   0.03     0.03  -0.00   0.03     0.02  -0.07  -0.02
    42   1     0.04   0.01   0.06     0.04   0.01   0.06    -0.04  -0.09  -0.16
    43   1     0.06   0.03   0.13     0.05   0.03   0.12     0.05  -0.01   0.14
    44   1    -0.09  -0.04  -0.00    -0.09  -0.03   0.00     0.03  -0.02   0.00
    45   1    -0.12  -0.06   0.00    -0.11  -0.04   0.00    -0.08  -0.05   0.01
    46   1    -0.10  -0.04  -0.00    -0.10  -0.04  -0.00     0.10   0.02   0.00
    47   1     0.00  -0.33   0.15     0.00  -0.34   0.15     0.00  -0.16   0.06
    48   1    -0.08   0.04   0.01    -0.09   0.06  -0.00    -0.05   0.05  -0.03
    49   1    -0.06  -0.15   0.09    -0.07  -0.15   0.09    -0.03  -0.09   0.04
    50   1    -0.04  -0.01   0.06     0.04   0.01  -0.06     0.04   0.09  -0.17
    51   1    -0.03   0.00   0.03     0.03  -0.00  -0.03    -0.02   0.08  -0.02
    52   1    -0.06  -0.03   0.13     0.05   0.03  -0.12    -0.05   0.01   0.14
    53   1     0.10   0.04  -0.00    -0.10  -0.04   0.00    -0.10  -0.03   0.00
    54   1     0.12   0.06   0.00    -0.11  -0.04  -0.00     0.08   0.05   0.01
    55   1     0.09   0.04  -0.00    -0.09  -0.03  -0.00    -0.03   0.02   0.00
    56   1     0.02   0.04   0.09    -0.01  -0.06  -0.07    -0.01   0.07  -0.22
    57   1     0.12  -0.01  -0.09    -0.11   0.01   0.08    -0.13  -0.03   0.12
    58   1     0.11   0.08  -0.14    -0.11  -0.08   0.13     0.00  -0.03  -0.01
    59   1     0.06  -0.06   0.11    -0.05   0.06  -0.13    -0.08   0.01   0.10
    60   1     0.04  -0.06  -0.11    -0.07   0.06   0.09     0.17  -0.06   0.02
    61   1     0.08  -0.05   0.01    -0.09   0.06   0.00     0.05  -0.05  -0.03
    62   1    -0.00   0.33   0.15     0.00  -0.33  -0.15    -0.00   0.17   0.07
    63   1     0.06   0.15   0.09    -0.06  -0.15  -0.09     0.03   0.09   0.04
                     67                     68                     69
                      A                      A                      A
 Frequencies --    723.1417               748.4054               748.6068
 Red. masses --      6.7687                 4.4178                 4.5994
 Frc consts  --      2.0855                 1.4579                 1.5186
 IR Inten    --     27.5306                13.6250                 1.3158
 RamAct Fr= 1--      0.5740                21.3599              1495.8992
  Dep-P Fr= 1--      0.7284                 0.2333                 0.1299
  Dep-U Fr= 1--      0.8429                 0.3783                 0.2300
 Alpha2 Fr= 1--      0.0002                 0.2651                24.3239
 Beta2  Fr= 1--      0.0806                 1.3469                57.3317
 AlphaG Fr= 1--      0.5199               424.3270             42784.7939
 Gamma2 Fr= 1--    129.9236              2810.5242             76869.6525
 Delta2 Fr= 1--      6.1859               -16.5866             -3554.7445
 Raman1 Fr= 1--       2.296                 85.440               5983.597
 ROA1   Fr= 1--   12670.617             269279.550            7265734.812
 CID1   Fr= 1--    5518.471               3151.696               1214.275
 Raman2 Fr= 1--       0.968                 16.163                687.980
 ROA2   Fr= 1--    3068.680              67585.273            1873309.615
 CID2   Fr= 1--    3171.296               4181.535               2722.913
 Raman3 Fr= 1--       1.935                 32.326               1375.960
 ROA3   Fr= 1--   12670.617             269279.550            7265734.812
 CID3   Fr= 1--    6547.160               8330.232               5280.484
 RC180  Fr= 1--       0.686                 -0.243                 -0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.04  -0.00  -0.04     0.04  -0.00  -0.04
     2   6    -0.16   0.04  -0.05     0.00   0.06  -0.00    -0.00   0.05  -0.01
     3   6    -0.06  -0.03  -0.01    -0.03   0.02  -0.05    -0.03   0.02  -0.05
     4   6     0.02  -0.05   0.20    -0.02   0.02  -0.06    -0.02   0.02  -0.05
     5   6     0.08  -0.00   0.03     0.11  -0.01   0.09     0.09  -0.01   0.08
     6   6     0.05   0.01  -0.06     0.04  -0.02   0.06     0.03  -0.02   0.05
     7   6    -0.05   0.12   0.01    -0.02   0.05   0.01    -0.02   0.05   0.01
     8   8     0.05  -0.03  -0.04    -0.05  -0.03   0.01    -0.04  -0.03   0.01
     9  29    -0.00  -0.01  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.07   0.05    -0.04   0.04  -0.04    -0.03   0.03  -0.04
    11   6    -0.00  -0.04  -0.21    -0.03  -0.05   0.23    -0.03  -0.04   0.20
    12   6     0.04  -0.08   0.01     0.03  -0.07  -0.02     0.02  -0.05  -0.02
    13   9     0.07  -0.02   0.14    -0.01   0.03   0.05    -0.01   0.03   0.03
    14   6     0.03  -0.05  -0.01     0.03  -0.03   0.01     0.03  -0.03   0.01
    15   6     0.01   0.03   0.00    -0.05  -0.01   0.01    -0.03  -0.00   0.00
    16   6    -0.02   0.01   0.03     0.01   0.02  -0.05     0.01   0.02  -0.03
    17   8     0.05  -0.03   0.05    -0.04  -0.03  -0.00     0.05   0.03   0.01
    18   6     0.02  -0.05  -0.21    -0.02   0.02   0.05     0.02  -0.02  -0.06
    19   6     0.08  -0.00  -0.03     0.09  -0.01  -0.07    -0.11   0.01   0.09
    20   6    -0.05   0.12  -0.01    -0.02   0.04  -0.01     0.03  -0.06   0.01
    21   6    -0.17   0.04   0.05     0.00   0.05  -0.00     0.00  -0.06  -0.01
    22   6    -0.07  -0.03   0.01    -0.03   0.02   0.04     0.03  -0.02  -0.06
    23   6    -0.02  -0.00   0.03     0.04  -0.00   0.04    -0.05   0.00  -0.05
    24   6     0.06   0.01   0.06     0.03  -0.01  -0.05    -0.04   0.02   0.06
    25   6    -0.02   0.01  -0.03     0.01   0.02   0.04    -0.01  -0.02  -0.04
    26   6     0.01   0.03  -0.00    -0.04  -0.01  -0.00     0.04   0.00   0.01
    27   6     0.03  -0.05   0.01     0.03  -0.03  -0.00    -0.03   0.04   0.01
    28   6    -0.00  -0.04   0.22    -0.03  -0.04  -0.18     0.03   0.05   0.24
    29   6     0.04  -0.09  -0.01     0.03  -0.06   0.02    -0.03   0.07  -0.02
    30   9     0.08  -0.02  -0.15    -0.01   0.03  -0.04     0.01  -0.03   0.04
    31   8     0.01   0.07  -0.05    -0.03   0.04   0.04     0.04  -0.04  -0.05
    32   9     0.01   0.05   0.05     0.09   0.02   0.09    -0.11  -0.02  -0.11
    33   9    -0.08  -0.01   0.03    -0.07  -0.03  -0.00     0.08   0.04   0.00
    34   9    -0.08  -0.00  -0.03    -0.08  -0.04   0.00    -0.07  -0.03   0.00
    35   9     0.01   0.05  -0.05     0.11   0.02  -0.11     0.09   0.02  -0.09
    36   1     0.08  -0.02   0.08    -0.10   0.09   0.19     0.12  -0.10  -0.22
    37   1     0.01   0.04   0.00    -0.14  -0.19  -0.18     0.17   0.23   0.23
    38   1     0.02  -0.07  -0.23     0.02  -0.09   0.17    -0.03   0.11  -0.20
    39   1     0.15   0.03   0.13    -0.13   0.04  -0.02     0.14  -0.05   0.00
    40   1    -0.16   0.06   0.03    -0.01   0.06  -0.07     0.03  -0.07   0.08
    41   1     0.01  -0.08  -0.03     0.02  -0.00   0.04    -0.02   0.01  -0.05
    42   1    -0.04  -0.10  -0.18     0.01  -0.01   0.00    -0.01   0.01   0.01
    43   1     0.05  -0.02   0.14     0.04   0.01   0.08    -0.05  -0.02  -0.11
    44   1     0.04  -0.02   0.00    -0.04  -0.04   0.01     0.04   0.05  -0.01
    45   1    -0.07  -0.05   0.01    -0.08  -0.05   0.01     0.10   0.07  -0.01
    46   1     0.11   0.03   0.00     0.02  -0.01  -0.00    -0.04   0.00   0.01
    47   1     0.00  -0.14   0.05     0.00  -0.20   0.10    -0.01   0.24  -0.12
    48   1    -0.04   0.04  -0.03    -0.06   0.10  -0.00     0.07  -0.11  -0.00
    49   1    -0.02  -0.08   0.04    -0.06   0.01   0.03     0.07  -0.02  -0.03
    50   1    -0.04  -0.09   0.18     0.01  -0.01  -0.00     0.01  -0.01   0.01
    51   1     0.01  -0.08   0.03     0.02  -0.00  -0.05     0.02  -0.00  -0.04
    52   1     0.05  -0.02  -0.13     0.04   0.02  -0.10     0.04   0.01  -0.09
    53   1     0.11   0.03  -0.00     0.03  -0.01   0.00     0.04  -0.00   0.00
    54   1    -0.07  -0.05  -0.01    -0.10  -0.06  -0.01    -0.09  -0.06  -0.01
    55   1     0.04  -0.02  -0.00    -0.05  -0.05  -0.01    -0.03  -0.04  -0.01
    56   1     0.02  -0.06   0.22     0.03  -0.11  -0.20     0.03  -0.09  -0.16
    57   1     0.14   0.03  -0.13    -0.16   0.05   0.02    -0.12   0.04   0.00
    58   1     0.01   0.04  -0.00    -0.17  -0.23   0.22    -0.14  -0.19   0.19
    59   1     0.08  -0.02  -0.08    -0.12   0.10  -0.22    -0.10   0.08  -0.18
    60   1    -0.16   0.05  -0.02    -0.02   0.07   0.09    -0.02   0.06   0.07
    61   1    -0.04   0.04   0.03    -0.08   0.12   0.00    -0.06   0.09  -0.00
    62   1     0.00  -0.13  -0.05     0.00  -0.24  -0.12     0.00  -0.19  -0.10
    63   1    -0.02  -0.08  -0.03    -0.07   0.02  -0.03    -0.06   0.02  -0.03
                     70                     71                     72
                      A                      A                      A
 Frequencies --    758.3131               760.4065               820.4215
 Red. masses --      3.6695                 3.4605                 3.2168
 Frc consts  --      1.2432                 1.1789                 1.2757
 IR Inten    --     10.5370                 4.5752                 2.9348
 RamAct Fr= 1--     48.4215              4000.6800                74.1476
  Dep-P Fr= 1--      0.7358                 0.2044                 0.4058
  Dep-U Fr= 1--      0.8478                 0.3395                 0.5773
 Alpha2 Fr= 1--      0.0117                53.6935                 0.5379
 Beta2  Fr= 1--      6.8419               226.3531                 7.1348
 AlphaG Fr= 1--      9.9440            155544.1868              -124.7069
 Gamma2 Fr= 1--  11985.5015            890894.8801               600.2837
 Delta2 Fr= 1--    141.9918             -6865.9640                22.5309
 Raman1 Fr= 1--     193.686              16002.720                296.591
 ROA1   Fr= 1-- 1155151.881           85306197.637              58348.228
 CID1   Fr= 1--    5964.040               5330.731                196.730
 Raman2 Fr= 1--      82.103               2716.238                 85.618
 ROA2   Fr= 1--  286516.102           21436404.833              14226.563
 CID2   Fr= 1--    3489.722               7891.947                166.164
 Raman3 Fr= 1--     164.206               5432.475                171.235
 ROA3   Fr= 1-- 1155151.881           85306197.637              58348.228
 CID3   Fr= 1--    7034.786              15703.007                340.749
 RC180  Fr= 1--       0.696                 -0.321                  0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.05    -0.03  -0.03  -0.04    -0.02  -0.01   0.00
     2   6    -0.13  -0.01  -0.10    -0.13  -0.01  -0.09     0.05   0.01   0.00
     3   6    -0.02   0.02  -0.04    -0.01   0.02  -0.04     0.02   0.11   0.00
     4   6     0.05  -0.01   0.00     0.06  -0.01   0.01     0.06   0.10   0.02
     5   6    -0.02  -0.01   0.03    -0.02  -0.01   0.02    -0.04   0.02  -0.04
     6   6    -0.02  -0.06   0.04    -0.02  -0.05   0.03    -0.08  -0.05   0.02
     7   6    -0.05   0.10   0.01    -0.04   0.10   0.01     0.02  -0.03  -0.01
     8   8     0.08  -0.02  -0.00     0.08  -0.02  -0.01     0.03  -0.04  -0.01
     9  29    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.06  -0.01  -0.04     0.06  -0.01  -0.03    -0.04  -0.04  -0.01
    11   6     0.04  -0.01   0.15     0.04  -0.01   0.13    -0.02   0.11   0.03
    12   6    -0.02   0.03  -0.00    -0.02   0.03  -0.00     0.00  -0.02  -0.00
    13   9    -0.05   0.02  -0.08    -0.04   0.02  -0.08     0.03  -0.01   0.06
    14   6    -0.00  -0.02  -0.00    -0.00  -0.02  -0.01    -0.00  -0.03  -0.03
    15   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.02  -0.01  -0.01
    16   6    -0.02   0.01   0.05    -0.02   0.01   0.05    -0.00  -0.01   0.01
    17   8     0.08  -0.02   0.00    -0.08   0.02  -0.01    -0.03   0.04  -0.01
    18   6     0.05  -0.01  -0.00    -0.06   0.01   0.01    -0.06  -0.10   0.02
    19   6    -0.02  -0.01  -0.03     0.02   0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.05   0.10  -0.01     0.04  -0.10   0.01    -0.02   0.03  -0.01
    21   6    -0.13  -0.01   0.10     0.13   0.01  -0.09    -0.05  -0.01   0.00
    22   6    -0.02   0.02   0.04     0.01  -0.02  -0.04    -0.02  -0.11   0.00
    23   6    -0.02  -0.03   0.05     0.03   0.03  -0.04     0.02   0.01   0.00
    24   6    -0.02  -0.05  -0.04     0.02   0.05   0.03     0.08   0.05   0.02
    25   6    -0.02   0.01  -0.05     0.02  -0.01   0.05     0.00   0.01   0.01
    26   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.02   0.01  -0.01
    27   6    -0.00  -0.02   0.00     0.00   0.02  -0.01     0.00   0.03  -0.03
    28   6     0.04  -0.01  -0.15    -0.04   0.01   0.13     0.02  -0.10   0.02
    29   6    -0.02   0.03   0.00     0.02  -0.03  -0.00    -0.00   0.02  -0.00
    30   9    -0.04   0.02   0.08     0.04  -0.02  -0.08    -0.03   0.01   0.06
    31   8     0.06  -0.01   0.03    -0.06   0.01  -0.03     0.04   0.04  -0.01
    32   9    -0.01  -0.02  -0.03     0.01   0.02   0.04    -0.05  -0.02  -0.05
    33   9     0.03   0.00  -0.01    -0.03  -0.00   0.01     0.07   0.06  -0.02
    34   9     0.03   0.00   0.01     0.03   0.00   0.01    -0.07  -0.07  -0.02
    35   9    -0.01  -0.02   0.03    -0.01  -0.02   0.04     0.05   0.02  -0.05
    36   1     0.07  -0.13  -0.15    -0.08   0.13   0.16    -0.12   0.20   0.33
    37   1     0.03   0.11  -0.03    -0.04  -0.13   0.02    -0.11  -0.28  -0.08
    38   1     0.01   0.05  -0.27    -0.01  -0.06   0.29     0.02  -0.24   0.08
    39   1     0.24   0.01   0.20    -0.25  -0.01  -0.20    -0.17   0.13  -0.01
    40   1    -0.17  -0.03   0.08     0.17   0.03  -0.09    -0.01   0.01  -0.00
    41   1     0.00  -0.06  -0.03    -0.00   0.06   0.04     0.01  -0.01   0.02
    42   1    -0.04  -0.08  -0.17     0.04   0.08   0.16    -0.01  -0.02  -0.03
    43   1     0.03  -0.01   0.08    -0.03   0.01  -0.08     0.02  -0.00   0.06
    44   1     0.10  -0.03  -0.00    -0.10   0.02   0.00     0.01   0.00  -0.00
    45   1    -0.08  -0.07   0.01     0.08   0.07  -0.01    -0.00  -0.00  -0.01
    46   1     0.18   0.03  -0.01    -0.17  -0.03   0.01     0.03   0.01  -0.01
    47   1     0.02   0.02  -0.01    -0.02  -0.02   0.01     0.02  -0.04   0.05
    48   1     0.04  -0.08   0.02    -0.04   0.08  -0.02    -0.02   0.06   0.02
    49   1     0.03  -0.00  -0.01    -0.03   0.01   0.01    -0.03   0.14  -0.02
    50   1    -0.04  -0.08   0.17    -0.04  -0.08   0.16     0.01   0.02  -0.03
    51   1     0.00  -0.06   0.03     0.00  -0.06   0.04    -0.01   0.01   0.02
    52   1     0.03  -0.01  -0.08     0.03  -0.01  -0.08    -0.02   0.00   0.06
    53   1     0.18   0.03   0.01     0.17   0.03   0.01    -0.03  -0.01  -0.01
    54   1    -0.09  -0.07  -0.01    -0.08  -0.07  -0.01     0.00   0.00  -0.01
    55   1     0.10  -0.03   0.00     0.10  -0.02   0.00    -0.01  -0.00  -0.00
    56   1     0.01   0.05   0.27     0.00   0.06   0.28    -0.02   0.24   0.08
    57   1     0.24   0.01  -0.21     0.25   0.01  -0.20     0.17  -0.13  -0.01
    58   1     0.03   0.12   0.03     0.04   0.13   0.02     0.11   0.28  -0.08
    59   1     0.07  -0.13   0.15     0.08  -0.13   0.16     0.12  -0.21   0.33
    60   1    -0.17  -0.03  -0.08    -0.17  -0.03  -0.09     0.01  -0.01  -0.00
    61   1     0.04  -0.08  -0.02     0.04  -0.08  -0.02     0.02  -0.06   0.02
    62   1     0.02   0.02   0.01     0.02   0.02   0.01    -0.02   0.04   0.05
    63   1     0.03  -0.00   0.01     0.03  -0.01   0.01     0.03  -0.14  -0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --    822.1701               834.3695               834.5893
 Red. masses --      3.0698                 4.9944                 4.8930
 Frc consts  --      1.2226                 2.0486                 2.0080
 IR Inten    --     49.2637                 3.1925                11.8175
 RamAct Fr= 1--    497.1714                 3.4874               122.9862
  Dep-P Fr= 1--      0.7417                 0.7430                 0.6748
  Dep-U Fr= 1--      0.8517                 0.8526                 0.8059
 Alpha2 Fr= 1--      0.0700                 0.0004                 0.1635
 Beta2  Fr= 1--     70.5742                 0.4955                16.5183
 AlphaG Fr= 1--      7.2691                 0.4543              1487.5587
 Gamma2 Fr= 1-- 131471.5500               679.6751             42007.4129
 Delta2 Fr= 1--   1639.1688                 4.4207               356.1003
 Raman1 Fr= 1--    1988.685                 13.949                491.945
 ROA1   Fr= 1--12673722.200              65390.271            4044106.852
 CID1   Fr= 1--    6372.915               4687.661               8220.654
 Raman2 Fr= 1--     846.891                  5.947                198.220
 ROA2   Fr= 1-- 3142203.849              16276.837            1005329.108
 CID2   Fr= 1--    3710.283               2737.208               5071.793
 Raman3 Fr= 1--    1693.781                 11.893                396.439
 ROA3   Fr= 1--12673722.200              65390.271            4044106.852
 CID3   Fr= 1--    7482.502               5498.206              10201.074
 RC180  Fr= 1--       0.703                  0.705                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00     0.03  -0.02  -0.07    -0.03   0.02   0.07
     2   6     0.05   0.01   0.00    -0.00  -0.07  -0.07     0.00   0.07   0.07
     3   6     0.02   0.11  -0.00    -0.00   0.00   0.20     0.00   0.00  -0.20
     4   6     0.06   0.10   0.03     0.01   0.06  -0.23    -0.01  -0.06   0.23
     5   6    -0.04   0.02  -0.04     0.02   0.01  -0.01    -0.03  -0.01   0.01
     6   6    -0.08  -0.05   0.02    -0.01  -0.05   0.16     0.01   0.05  -0.16
     7   6     0.02  -0.03  -0.01    -0.03   0.06   0.00     0.03  -0.06  -0.00
     8   8     0.03  -0.04  -0.01    -0.01  -0.02   0.05     0.01   0.02  -0.05
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8    -0.04  -0.04  -0.01     0.00  -0.01   0.03    -0.01   0.01  -0.03
    11   6    -0.02   0.10   0.03     0.00   0.05  -0.14    -0.00  -0.04   0.14
    12   6     0.00  -0.02  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    13   9     0.03  -0.01   0.06     0.03  -0.02   0.03    -0.02   0.01  -0.03
    14   6    -0.00  -0.03  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    15   6    -0.02  -0.01  -0.01     0.01   0.03   0.00    -0.01  -0.03  -0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    17   8     0.03  -0.04   0.01    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05
    18   6     0.06   0.10  -0.03     0.01   0.07   0.23     0.01   0.06   0.22
    19   6    -0.04   0.02   0.04     0.02   0.01   0.01     0.03   0.01   0.01
    20   6     0.02  -0.03   0.01    -0.03   0.06  -0.00    -0.03   0.06  -0.00
    21   6     0.05   0.01  -0.00    -0.00  -0.07   0.07    -0.00  -0.07   0.07
    22   6     0.02   0.11   0.00    -0.00   0.00  -0.20    -0.00  -0.00  -0.19
    23   6    -0.02  -0.01  -0.00     0.03  -0.02   0.07     0.03  -0.02   0.07
    24   6    -0.08  -0.05  -0.02    -0.01  -0.06  -0.17    -0.01  -0.05  -0.16
    25   6    -0.00  -0.01  -0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    26   6    -0.02  -0.01   0.01     0.01   0.03  -0.00     0.01   0.03  -0.00
    27   6    -0.00  -0.03   0.03     0.01   0.00   0.01     0.01   0.00   0.01
    28   6    -0.02   0.10  -0.03     0.00   0.05   0.14     0.00   0.04   0.14
    29   6     0.00  -0.02   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    30   9     0.03  -0.01  -0.06     0.03  -0.02  -0.03     0.02  -0.01  -0.03
    31   8    -0.04  -0.04   0.01     0.00  -0.01  -0.03     0.00  -0.01  -0.03
    32   9     0.05   0.01   0.05    -0.01   0.01  -0.01    -0.01   0.01  -0.01
    33   9    -0.07  -0.06   0.02    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    34   9    -0.07  -0.06  -0.02    -0.01  -0.01  -0.01     0.01   0.01   0.01
    35   9     0.05   0.01  -0.05    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1     0.13  -0.21  -0.33    -0.14   0.04   0.03    -0.14   0.05   0.04
    37   1     0.11   0.29   0.08    -0.15  -0.17  -0.28    -0.15  -0.18  -0.27
    38   1    -0.02   0.24  -0.09     0.03   0.03   0.02     0.03   0.02   0.02
    39   1     0.18  -0.13   0.01     0.05   0.17   0.21     0.04   0.18   0.21
    40   1     0.02  -0.01   0.00    -0.02  -0.07   0.03    -0.02  -0.07   0.02
    41   1    -0.01   0.01  -0.02     0.01  -0.04  -0.02     0.01  -0.04  -0.02
    42   1     0.01   0.02   0.03    -0.01  -0.04  -0.09    -0.01  -0.05  -0.09
    43   1    -0.02   0.00  -0.06     0.04   0.00   0.08     0.04   0.00   0.08
    44   1    -0.01  -0.00   0.00     0.06  -0.05   0.00     0.06  -0.05   0.00
    45   1     0.00   0.00   0.01    -0.12  -0.09   0.02    -0.11  -0.09   0.02
    46   1    -0.03  -0.01   0.01     0.17   0.02  -0.02     0.17   0.02  -0.02
    47   1    -0.02   0.04  -0.05    -0.02   0.01  -0.03    -0.02   0.01  -0.03
    48   1     0.01  -0.05  -0.02    -0.01   0.02  -0.02    -0.01   0.02  -0.02
    49   1     0.03  -0.14   0.03     0.02  -0.08   0.01     0.02  -0.07   0.01
    50   1     0.01   0.02  -0.03    -0.01  -0.04   0.09     0.01   0.05  -0.10
    51   1    -0.01   0.01   0.02     0.01  -0.04   0.02    -0.01   0.04  -0.02
    52   1    -0.02   0.00   0.06     0.04   0.00  -0.08    -0.04  -0.00   0.08
    53   1    -0.03  -0.01  -0.01     0.17   0.02   0.02    -0.17  -0.02  -0.02
    54   1     0.00   0.00  -0.01    -0.12  -0.09  -0.02     0.12   0.09   0.02
    55   1    -0.01  -0.00  -0.00     0.06  -0.05  -0.00    -0.07   0.05   0.00
    56   1    -0.02   0.24   0.09     0.03   0.03  -0.01    -0.03  -0.02   0.02
    57   1     0.18  -0.13  -0.01     0.05   0.17  -0.21    -0.04  -0.18   0.21
    58   1     0.11   0.29  -0.08    -0.15  -0.17   0.27     0.15   0.18  -0.28
    59   1     0.13  -0.21   0.32    -0.14   0.04  -0.03     0.14  -0.05   0.04
    60   1     0.02  -0.01  -0.00    -0.02  -0.07  -0.02     0.02   0.07   0.03
    61   1     0.01  -0.05   0.02    -0.01   0.02   0.02     0.01  -0.02  -0.02
    62   1    -0.02   0.04   0.05    -0.02   0.01   0.03     0.02  -0.01  -0.03
    63   1     0.03  -0.14  -0.03     0.02  -0.08  -0.01    -0.02   0.08   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --    866.0888               866.1979               883.6098
 Red. masses --      1.6826                 1.6615                 2.8311
 Frc consts  --      0.7436                 0.7345                 1.3024
 IR Inten    --      6.5753                 0.4193                 2.3271
 RamAct Fr= 1--    188.6296              1052.4280               323.9541
  Dep-P Fr= 1--      0.6762                 0.1724                 0.2505
  Dep-U Fr= 1--      0.8068                 0.2941                 0.4007
 Alpha2 Fr= 1--      0.2461                15.3618                 3.8337
 Beta2  Fr= 1--     25.3647                51.5922                21.6337
 AlphaG Fr= 1--    437.4611             40370.0011             11852.9800
 Gamma2 Fr= 1--  51057.9549            193535.3125             81937.2787
 Delta2 Fr= 1--    571.7138             -2101.6468              -389.1788
 Raman1 Fr= 1--     754.519               4209.712               1295.816
 ROA1   Fr= 1-- 4919858.513           18512137.299            7853525.032
 CID1   Fr= 1--    6520.527               4397.483               6060.677
 Raman2 Fr= 1--     304.377                619.107                259.605
 ROA2   Fr= 1-- 1220817.208            4661660.674            1969608.118
 CID2   Fr= 1--    4010.879               7529.656               7586.952
 Raman3 Fr= 1--     608.753               1238.213                519.209
 ROA3   Fr= 1-- 4919858.513           18512137.299            7853525.032
 CID3   Fr= 1--    8081.863              14950.683              15125.933
 RC180  Fr= 1--       0.614                 -0.412                 -0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.03     0.03   0.02   0.02     0.02  -0.01  -0.04
     2   6     0.04   0.02   0.02    -0.03  -0.02  -0.02    -0.05   0.08   0.03
     3   6     0.01  -0.04   0.01    -0.01   0.03  -0.01    -0.02   0.03   0.05
     4   6    -0.03  -0.01  -0.06     0.03   0.01   0.05     0.03   0.01  -0.08
     5   6     0.08  -0.01   0.06    -0.07   0.01  -0.04    -0.06  -0.05   0.10
     6   6    -0.03  -0.00  -0.04     0.02   0.00   0.04     0.02   0.02  -0.08
     7   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01  -0.02   0.01
     8   8    -0.05   0.01   0.01     0.04  -0.01  -0.01     0.05  -0.01   0.02
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.01  -0.01  -0.01     0.00  -0.01   0.01
    11   6    -0.00  -0.04  -0.02     0.00   0.03   0.01     0.00   0.03  -0.02
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9    -0.01   0.00  -0.01     0.00  -0.00   0.01     0.01  -0.00   0.01
    14   6     0.03   0.01   0.03    -0.03  -0.01  -0.03    -0.03  -0.03   0.04
    15   6    -0.03  -0.01  -0.01     0.02   0.01   0.00     0.01  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.01  -0.02
    17   8    -0.04   0.01  -0.01    -0.05   0.01  -0.01    -0.07   0.02   0.02
    18   6    -0.03  -0.01   0.05    -0.03  -0.01   0.06    -0.04  -0.01  -0.11
    19   6     0.07  -0.01  -0.05     0.08  -0.01  -0.05     0.09   0.07   0.14
    20   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.03   0.01
    21   6     0.03   0.02  -0.02     0.04   0.02  -0.02     0.08  -0.11   0.04
    22   6     0.01  -0.04  -0.01     0.01  -0.04  -0.01     0.03  -0.04   0.07
    23   6    -0.04  -0.02   0.02    -0.04  -0.02   0.03    -0.03   0.01  -0.05
    24   6    -0.02  -0.00   0.04    -0.03  -0.00   0.04    -0.03  -0.02  -0.11
    25   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.02  -0.03
    26   6    -0.02  -0.01   0.00    -0.03  -0.01   0.00    -0.01   0.01   0.00
    27   6     0.03   0.01  -0.03     0.03   0.01  -0.03     0.04   0.04   0.06
    28   6    -0.00  -0.03   0.02    -0.00  -0.03   0.02    -0.00  -0.04  -0.03
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9    -0.01   0.00   0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.01   0.01
    32   9    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    33   9     0.01   0.02  -0.00     0.01   0.02  -0.00     0.01   0.02  -0.01
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    35   9    -0.01  -0.00   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    36   1     0.17  -0.17  -0.03     0.20  -0.20  -0.04     0.02  -0.07  -0.03
    37   1    -0.00   0.27  -0.01    -0.00   0.32  -0.02    -0.02  -0.00  -0.11
    38   1    -0.02   0.20  -0.17    -0.03   0.24  -0.20    -0.04   0.13   0.02
    39   1     0.24  -0.16   0.06     0.29  -0.19   0.07    -0.03   0.11   0.01
    40   1     0.11   0.07  -0.04     0.13   0.08  -0.05     0.12  -0.10   0.09
    41   1     0.00   0.00   0.02     0.00   0.00   0.02     0.02  -0.08  -0.09
    42   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01     0.01  -0.08  -0.15
    43   1     0.00  -0.00   0.01     0.00  -0.00   0.01     0.07   0.00   0.14
    44   1    -0.03  -0.01   0.01    -0.04  -0.02   0.01    -0.01  -0.02   0.01
    45   1    -0.02  -0.01   0.01    -0.03  -0.01   0.01    -0.02  -0.02   0.02
    46   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02     0.05   0.01   0.01
    47   1     0.00  -0.17   0.09     0.00  -0.20   0.11    -0.12   0.04  -0.15
    48   1    -0.08   0.16  -0.02    -0.09   0.19  -0.02    -0.13   0.26  -0.25
    49   1    -0.08   0.07   0.01    -0.10   0.07   0.02     0.02  -0.46   0.10
    50   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.00   0.05  -0.11
    51   1     0.00   0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.06  -0.06
    52   1     0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.05  -0.00   0.10
    53   1    -0.01  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01   0.01
    54   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.02   0.01   0.02
    55   1    -0.03  -0.02  -0.01     0.03   0.01   0.01     0.01   0.01   0.01
    56   1    -0.03   0.24   0.21     0.02  -0.21  -0.17     0.03  -0.09   0.01
    57   1     0.29  -0.19  -0.08    -0.24   0.16   0.06     0.02  -0.08   0.01
    58   1    -0.00   0.32   0.02     0.00  -0.27  -0.01     0.02   0.00  -0.07
    59   1     0.20  -0.20   0.04    -0.17   0.17  -0.03    -0.01   0.05  -0.02
    60   1     0.13   0.08   0.04    -0.11  -0.07  -0.04    -0.09   0.07   0.06
    61   1    -0.09   0.19   0.02     0.08  -0.16  -0.02     0.09  -0.18  -0.17
    62   1     0.00  -0.20  -0.11    -0.00   0.17   0.09     0.09  -0.03  -0.10
    63   1    -0.10   0.08  -0.02     0.08  -0.06   0.01    -0.01   0.32   0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --    883.8071               904.6125               904.7009
 Red. masses --      2.8365                 2.9155                 2.9145
 Frc consts  --      1.3054                 1.4057                 1.4055
 IR Inten    --      4.3824                 1.0700                 1.5170
 RamAct Fr= 1--    137.8812                52.8933                15.4194
  Dep-P Fr= 1--      0.6681                 0.1958                 0.4421
  Dep-U Fr= 1--      0.8011                 0.3275                 0.6132
 Alpha2 Fr= 1--      0.2005                 0.7263                 0.0975
 Beta2  Fr= 1--     18.4086                 2.8871                 1.5758
 AlphaG Fr= 1--    473.6770              1208.7088               158.4917
 Gamma2 Fr= 1--  29078.7792              6373.6694              1475.5786
 Delta2 Fr= 1--    311.6471                66.4765                16.6212
 Raman1 Fr= 1--     551.525                211.573                 61.677
 ROA1   Fr= 1-- 2801535.510             613999.510             142187.428
 CID1   Fr= 1--    5079.618               2902.067               2305.339
 Raman2 Fr= 1--     220.903                 34.645                 18.909
 ROA2   Fr= 1--  695397.524             152436.253              35280.917
 CID2   Fr= 1--    3147.981               4399.907               1865.805
 Raman3 Fr= 1--     441.805                 69.291                 37.818
 ROA3   Fr= 1-- 2801535.510             613999.510             142187.428
 CID3   Fr= 1--    6341.106               8861.215               3759.738
 RC180  Fr= 1--       0.602                 -0.345                  0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.05     0.05  -0.04  -0.06    -0.10   0.07   0.12
     2   6    -0.08   0.11   0.04    -0.00  -0.10   0.06     0.01   0.21  -0.14
     3   6    -0.03   0.04   0.07    -0.00   0.01  -0.01     0.01  -0.02   0.03
     4   6     0.05   0.01  -0.11     0.00   0.01   0.02    -0.00  -0.02  -0.03
     5   6    -0.09  -0.07   0.14     0.00  -0.00   0.00    -0.00   0.01   0.00
     6   6     0.03   0.03  -0.11    -0.04   0.09  -0.02     0.08  -0.18   0.04
     7   6     0.02  -0.03   0.01    -0.01   0.01  -0.01     0.02  -0.02   0.02
     8   8     0.07  -0.02   0.02    -0.00  -0.00  -0.00     0.01   0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01   0.01     0.01  -0.00  -0.00    -0.02   0.00   0.00
    11   6    -0.00   0.04  -0.03     0.00   0.01   0.01    -0.01  -0.02  -0.01
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   9     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.04  -0.04   0.06     0.00  -0.01   0.01    -0.00   0.01  -0.01
    15   6     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.02   0.00
    16   6     0.03  -0.02  -0.03    -0.01   0.01   0.01     0.02  -0.02  -0.01
    17   8     0.05  -0.02  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
    18   6     0.03   0.01   0.08    -0.01  -0.02   0.03    -0.00  -0.01   0.02
    19   6    -0.06  -0.05  -0.10    -0.00   0.01   0.00    -0.00   0.00  -0.00
    20   6     0.01  -0.02  -0.01     0.02  -0.02  -0.02     0.01  -0.01  -0.01
    21   6    -0.05   0.08  -0.03     0.01   0.21   0.14     0.00   0.10   0.07
    22   6    -0.02   0.03  -0.05     0.01  -0.02  -0.03     0.00  -0.01  -0.01
    23   6     0.02  -0.01   0.04    -0.10   0.07  -0.12    -0.05   0.04  -0.06
    24   6     0.02   0.02   0.08     0.08  -0.18  -0.04     0.04  -0.09  -0.02
    25   6     0.02  -0.01   0.02     0.02  -0.02   0.01     0.01  -0.01   0.01
    26   6     0.01  -0.00  -0.00    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00
    27   6    -0.03  -0.03  -0.04    -0.00   0.01   0.01    -0.00   0.00   0.00
    28   6    -0.00   0.03   0.02    -0.01  -0.02   0.01    -0.00  -0.01   0.01
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    30   9     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00  -0.01  -0.01    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    32   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    34   9    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   9     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.05   0.02     0.10  -0.22   0.11     0.05  -0.10   0.05
    37   1     0.02   0.00   0.08     0.12  -0.30   0.02     0.06  -0.14   0.01
    38   1     0.03  -0.09  -0.01    -0.09  -0.03  -0.22    -0.04  -0.02  -0.10
    39   1     0.02  -0.08  -0.01    -0.06   0.03  -0.13    -0.03   0.02  -0.06
    40   1    -0.09   0.07  -0.06     0.20   0.25   0.47     0.10   0.12   0.22
    41   1    -0.01   0.06   0.06    -0.02   0.08   0.01    -0.01   0.04   0.00
    42   1    -0.00   0.05   0.10     0.02   0.09   0.17     0.01   0.04   0.08
    43   1    -0.05  -0.00  -0.10    -0.05   0.02  -0.16    -0.02   0.01  -0.08
    44   1     0.01   0.01  -0.01    -0.08  -0.02   0.02    -0.04  -0.01   0.01
    45   1     0.02   0.01  -0.02     0.03   0.01   0.02     0.01   0.01   0.01
    46   1    -0.03  -0.01  -0.01    -0.01   0.01   0.03    -0.01   0.00   0.01
    47   1     0.09  -0.03   0.10    -0.03   0.08  -0.07    -0.01   0.04  -0.03
    48   1     0.09  -0.18   0.17     0.00  -0.00  -0.05     0.00  -0.00  -0.02
    49   1    -0.01   0.32  -0.07     0.03  -0.09   0.00     0.01  -0.04   0.00
    50   1    -0.01   0.08  -0.15    -0.01  -0.04   0.08     0.02   0.09  -0.17
    51   1    -0.02   0.08  -0.09     0.01  -0.04   0.00    -0.02   0.08  -0.01
    52   1    -0.07  -0.00   0.14     0.02  -0.01  -0.08    -0.05   0.02   0.16
    53   1    -0.05  -0.01   0.01     0.01  -0.00   0.01    -0.01   0.01  -0.03
    54   1     0.02   0.02   0.02    -0.01  -0.01   0.01     0.03   0.01  -0.02
    55   1     0.01   0.02   0.01     0.04   0.01   0.01    -0.08  -0.02  -0.02
    56   1     0.04  -0.13   0.01     0.04   0.01  -0.10    -0.09  -0.03   0.22
    57   1     0.03  -0.11   0.01     0.03  -0.01  -0.06    -0.06   0.03   0.13
    58   1     0.02   0.00  -0.11    -0.05   0.14   0.01     0.12  -0.30  -0.02
    59   1    -0.02   0.07  -0.03    -0.05   0.11   0.05     0.10  -0.22  -0.11
    60   1    -0.12   0.10   0.09    -0.10  -0.12   0.22     0.20   0.25  -0.47
    61   1     0.13  -0.26  -0.25     0.00  -0.00  -0.03     0.00  -0.00   0.05
    62   1     0.12  -0.04  -0.15     0.01  -0.04  -0.03    -0.03   0.08   0.07
    63   1    -0.02   0.46   0.10    -0.01   0.05   0.00     0.03  -0.09  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    934.3990               934.4239               953.8921
 Red. masses --      2.3325                 2.3319                 1.9979
 Frc consts  --      1.1999                 1.1996                 1.0711
 IR Inten    --      3.3497                21.6825                 1.8123
 RamAct Fr= 1--    271.5773                41.9663                 4.6414
  Dep-P Fr= 1--      0.1879                 0.2494                 0.6178
  Dep-U Fr= 1--      0.3164                 0.3992                 0.7638
 Alpha2 Fr= 1--      3.8073                 0.4982                 0.0112
 Beta2  Fr= 1--     14.3216                 2.7924                 0.5908
 AlphaG Fr= 1--   6062.4361               806.6580                37.9393
 Gamma2 Fr= 1--   2754.8452              1116.8281               804.5167
 Delta2 Fr= 1--   -659.4094               -79.8402                 6.6886
 Raman1 Fr= 1--    1086.309                167.865                 18.566
 ROA1   Fr= 1--  243364.038             104660.611              77447.638
 CID1   Fr= 1--     224.028                623.480               4171.568
 Raman2 Fr= 1--     171.859                 33.509                  7.090
 ROA2   Fr= 1--   71391.560              27442.595              19254.892
 CID2   Fr= 1--     415.408                818.958               2715.763
 Raman3 Fr= 1--     343.717                 67.018                 14.180
 ROA3   Fr= 1--  243364.038             104660.611              77447.638
 CID3   Fr= 1--     708.035               1561.672               5461.715
 RC180  Fr= 1--      -0.367                 -0.202                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05     0.07  -0.01  -0.11    -0.00   0.02  -0.02
     2   6     0.04  -0.07  -0.04    -0.09   0.15   0.08    -0.01  -0.02   0.01
     3   6     0.03   0.01  -0.00    -0.06  -0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.01   0.00     0.01  -0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.03     0.03   0.02  -0.06    -0.00  -0.00  -0.00
     6   6     0.02   0.02  -0.04    -0.05  -0.04   0.09     0.00  -0.02  -0.01
     7   6    -0.01   0.02   0.00     0.02  -0.05  -0.01     0.03   0.01   0.06
     8   8    -0.02   0.01  -0.00     0.04  -0.01   0.00    -0.00  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8    -0.01  -0.01  -0.00     0.01   0.03   0.00     0.00   0.00   0.00
    11   6    -0.00   0.03   0.01     0.00  -0.07  -0.01    -0.00  -0.00  -0.00
    12   6    -0.01   0.01   0.00     0.02  -0.02  -0.01     0.00  -0.00  -0.00
    13   9     0.01  -0.00   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    14   6    -0.00  -0.02   0.02     0.01   0.03  -0.05    -0.01   0.01  -0.01
    15   6    -0.01   0.02   0.00     0.03  -0.05  -0.01    -0.03  -0.02   0.03
    16   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.04   0.03  -0.03
    17   8     0.04  -0.01  -0.00     0.02  -0.00  -0.00     0.00   0.00   0.00
    18   6     0.01  -0.03   0.01     0.00  -0.02   0.00    -0.00   0.01  -0.00
    19   6     0.03   0.02   0.06     0.01   0.01   0.03     0.01   0.01  -0.01
    20   6     0.02  -0.05   0.01     0.01  -0.02   0.00    -0.07  -0.02   0.15
    21   6    -0.09   0.15  -0.08    -0.04   0.07  -0.04     0.03   0.05   0.04
    22   6    -0.06  -0.02  -0.00    -0.03  -0.01  -0.00     0.02  -0.00  -0.00
    23   6     0.07  -0.01   0.11     0.03  -0.00   0.05     0.00  -0.05  -0.05
    24   6    -0.05  -0.04  -0.09    -0.02  -0.02  -0.04    -0.01   0.04  -0.02
    25   6     0.01  -0.03   0.01     0.00  -0.01   0.00    -0.09  -0.07  -0.08
    26   6     0.03  -0.05   0.01     0.01  -0.02   0.00     0.08   0.04   0.08
    27   6     0.01   0.03   0.05     0.00   0.02   0.02     0.02  -0.01  -0.02
    28   6     0.00  -0.07   0.01     0.00  -0.03   0.01     0.00   0.01  -0.00
    29   6     0.02  -0.02   0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    30   9    -0.01   0.01   0.02    -0.00   0.00   0.01     0.00  -0.00  -0.00
    31   8     0.01   0.02  -0.00     0.00   0.01  -0.00    -0.01  -0.00   0.00
    32   9    -0.02   0.00  -0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
    34   9    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.00   0.00   0.00
    35   9     0.01  -0.00  -0.01    -0.02   0.00   0.01    -0.00   0.00   0.00
    36   1    -0.06  -0.02  -0.18    -0.03  -0.01  -0.08    -0.03   0.05   0.02
    37   1    -0.06   0.10  -0.15    -0.03   0.05  -0.07    -0.03  -0.03  -0.03
    38   1     0.06   0.08   0.13     0.03   0.04   0.06     0.00  -0.12  -0.05
    39   1     0.05  -0.06   0.07     0.02  -0.03   0.03    -0.04  -0.07  -0.08
    40   1    -0.14   0.20  -0.39    -0.06   0.09  -0.18     0.13   0.15  -0.11
    41   1    -0.02   0.05  -0.04    -0.01   0.02  -0.02    -0.08  -0.05  -0.48
    42   1     0.03   0.07   0.15     0.01   0.03   0.07     0.11   0.07   0.11
    43   1    -0.03   0.02  -0.14    -0.01   0.01  -0.06     0.07   0.07  -0.08
    44   1    -0.06   0.11  -0.02    -0.03   0.05  -0.01     0.48   0.19  -0.13
    45   1     0.24   0.18  -0.05     0.11   0.08  -0.02    -0.10  -0.03  -0.12
    46   1    -0.28  -0.02   0.04    -0.13  -0.01   0.02    -0.15  -0.10  -0.10
    47   1    -0.08   0.15  -0.16    -0.04   0.07  -0.07     0.02  -0.17   0.10
    48   1    -0.03   0.07  -0.15    -0.01   0.03  -0.07    -0.05   0.08   0.03
    49   1     0.06  -0.29   0.04     0.03  -0.13   0.02    -0.07   0.08   0.01
    50   1    -0.01  -0.03   0.07     0.03   0.07  -0.15    -0.04  -0.03   0.04
    51   1     0.01  -0.02  -0.02    -0.02   0.05   0.04     0.03   0.02  -0.19
    52   1     0.01  -0.01  -0.06    -0.03   0.02   0.14    -0.03  -0.03  -0.03
    53   1     0.13   0.01   0.02    -0.28  -0.02  -0.04     0.06   0.04  -0.04
    54   1    -0.11  -0.08  -0.02     0.24   0.18   0.05     0.04   0.01  -0.05
    55   1     0.03  -0.05  -0.01    -0.06   0.11   0.02    -0.19  -0.08  -0.05
    56   1    -0.03  -0.04   0.06     0.06   0.08  -0.13    -0.00   0.05  -0.02
    57   1    -0.02   0.03   0.03     0.05  -0.06  -0.07     0.02   0.03  -0.03
    58   1     0.03  -0.05  -0.07    -0.06   0.10   0.15     0.01   0.01  -0.01
    59   1     0.03   0.01  -0.08    -0.06  -0.02   0.18     0.01  -0.02   0.01
    60   1     0.06  -0.09  -0.18    -0.14   0.20   0.39    -0.05  -0.06  -0.04
    61   1     0.01  -0.03  -0.07    -0.03   0.07   0.15     0.02  -0.03   0.01
    62   1     0.04  -0.07  -0.07    -0.08   0.15   0.16    -0.01   0.07   0.04
    63   1    -0.03   0.13   0.02     0.06  -0.29  -0.04     0.03  -0.03   0.01
                     85                     86                     87
                      A                      A                      A
 Frequencies --    953.9033               961.3740               961.3922
 Red. masses --      1.9971                 1.3964                 1.3965
 Frc consts  --      1.0707                 0.7604                 0.7605
 IR Inten    --      3.2777                 0.5527                 0.3082
 RamAct Fr= 1--     14.5884                 3.2577                 8.1302
  Dep-P Fr= 1--      0.7483                 0.5943                 0.5635
  Dep-U Fr= 1--      0.8560                 0.7455                 0.7208
 Alpha2 Fr= 1--      0.0004                 0.0094                 0.0287
 Beta2  Fr= 1--      2.0813                 0.4048                 0.9767
 AlphaG Fr= 1--      3.3234                 8.1913                24.2372
 Gamma2 Fr= 1--   2322.9963               -57.6373              -277.1889
 Delta2 Fr= 1--     36.6923                -1.9049                -6.2009
 Raman1 Fr= 1--      58.354                 13.031                 32.521
 ROA1   Fr= 1--  224181.796              -5594.140             -26808.567
 CID1   Fr= 1--    3841.779               -429.308               -824.351
 Raman2 Fr= 1--      24.976                  4.857                 11.721
 ROA2   Fr= 1--   55458.373              -1368.056              -6602.927
 CID2   Fr= 1--    2220.472               -281.657               -563.342
 Raman3 Fr= 1--      49.952                  9.714                 23.442
 ROA3   Fr= 1--  224181.796              -5594.140             -26808.567
 CID3   Fr= 1--    4487.955               -575.865              -1143.614
 RC180  Fr= 1--       0.712                  0.491                  0.442
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05    -0.00   0.00  -0.00     0.00  -0.02   0.00
     2   6    -0.03  -0.05   0.04    -0.00  -0.00   0.00     0.01   0.00  -0.01
     3   6    -0.02   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.01  -0.04  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.00
     7   6     0.07   0.02   0.15     0.02   0.01  -0.01    -0.07  -0.03   0.04
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6    -0.02   0.01  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   6    -0.08  -0.04   0.08    -0.01  -0.00  -0.02     0.07   0.02   0.08
    16   6     0.09   0.07  -0.08     0.01   0.00   0.02    -0.07  -0.02  -0.09
    17   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.03   0.01  -0.06     0.07   0.03   0.04     0.02   0.01   0.01
    21   6    -0.01  -0.02  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.02   0.02    -0.00   0.01   0.00    -0.00   0.00   0.00
    24   6     0.00  -0.02   0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    25   6     0.04   0.03   0.03     0.07   0.02  -0.09     0.01   0.00  -0.02
    26   6    -0.03  -0.02  -0.03    -0.07  -0.02   0.08    -0.02  -0.00   0.02
    27   6    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.01  -0.02  -0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    37   1     0.01   0.01   0.01     0.01  -0.04   0.00     0.00  -0.01   0.00
    38   1    -0.00   0.05   0.02    -0.00   0.00   0.02    -0.00   0.00   0.00
    39   1     0.02   0.03   0.03    -0.03   0.04   0.01    -0.01   0.01   0.00
    40   1    -0.05  -0.06   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   1     0.03   0.02   0.19     0.02   0.06   0.46     0.01   0.01   0.10
    42   1    -0.04  -0.03  -0.04    -0.26  -0.10  -0.27    -0.06  -0.02  -0.06
    43   1    -0.03  -0.03   0.03    -0.23  -0.17  -0.23    -0.05  -0.04  -0.05
    44   1    -0.19  -0.08   0.05     0.34   0.14  -0.14     0.07   0.03  -0.03
    45   1     0.04   0.01   0.05    -0.29  -0.10  -0.14    -0.06  -0.02  -0.03
    46   1     0.06   0.04   0.04    -0.31  -0.19  -0.13    -0.07  -0.04  -0.03
    47   1    -0.01   0.07  -0.04    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    48   1     0.02  -0.03  -0.01    -0.00   0.01  -0.02    -0.00   0.00  -0.00
    49   1     0.03  -0.03  -0.01     0.01  -0.03   0.00     0.00  -0.01   0.00
    50   1    -0.11  -0.07   0.11    -0.06  -0.02   0.06     0.26   0.10  -0.26
    51   1     0.08   0.05  -0.48     0.01   0.01  -0.10    -0.03  -0.06   0.46
    52   1    -0.06  -0.07  -0.09    -0.05  -0.04   0.05     0.24   0.17  -0.23
    53   1     0.15   0.10  -0.10    -0.07  -0.04   0.03     0.31   0.19  -0.13
    54   1     0.10   0.03  -0.12    -0.06  -0.02   0.03     0.29   0.10  -0.14
    55   1    -0.48  -0.19  -0.13     0.07   0.03   0.03    -0.34  -0.13  -0.14
    56   1    -0.00   0.12  -0.05    -0.00   0.00  -0.00     0.00  -0.00   0.02
    57   1     0.04   0.07  -0.08    -0.01   0.01  -0.00     0.03  -0.04   0.01
    58   1     0.03   0.03  -0.02     0.00  -0.01  -0.00    -0.01   0.04   0.00
    59   1     0.03  -0.05   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    60   1    -0.13  -0.15  -0.11    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   1     0.05  -0.08   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.02
    62   1    -0.02   0.17   0.10    -0.00   0.00   0.00     0.01  -0.02  -0.02
    63   1     0.07  -0.08   0.01     0.00  -0.01  -0.00    -0.01   0.03   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    978.7393               978.7944              1022.1801
 Red. masses --      2.6010                 2.6022                 1.3730
 Frc consts  --      1.4680                 1.4688                 0.8453
 IR Inten    --      2.4532                 0.6822                 0.3864
 RamAct Fr= 1--     31.1103                50.1921                10.0991
  Dep-P Fr= 1--      0.6930                 0.5375                 0.2790
  Dep-U Fr= 1--      0.8187                 0.6992                 0.4362
 Alpha2 Fr= 1--      0.0310                 0.2055                 0.1102
 Beta2  Fr= 1--      4.2448                 5.8492                 0.7343
 AlphaG Fr= 1--    167.9198               915.3731                36.3520
 Gamma2 Fr= 1--   6028.6502             13535.2351               169.7250
 Delta2 Fr= 1--     41.2940               -12.0157                 1.8158
 Raman1 Fr= 1--     124.441                200.769                 40.396
 ROA1   Fr= 1--  580071.826            1298998.069              16351.701
 CID1   Fr= 1--    4661.416               6470.129                404.781
 Raman2 Fr= 1--      50.938                 70.191                  8.811
 ROA2   Fr= 1--  144357.252             324941.768               4058.873
 CID2   Fr= 1--    2833.998               4629.404                460.646
 Raman3 Fr= 1--     101.875                140.382                 17.623
 ROA3   Fr= 1--  580071.826            1298998.069              16351.701
 CID3   Fr= 1--    5693.937               9253.330                927.886
 RC180  Fr= 1--       0.637                  0.398                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.08  -0.01    -0.02   0.22  -0.03     0.00  -0.00   0.00
     2   6    -0.01  -0.03   0.04    -0.03  -0.08   0.12     0.00   0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.02   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.01  -0.01     0.01   0.03  -0.02    -0.00  -0.00  -0.00
     5   6    -0.00  -0.01   0.01    -0.00  -0.04   0.03     0.00  -0.00   0.00
     6   6     0.02  -0.07  -0.02     0.04  -0.19  -0.07    -0.00   0.00   0.00
     7   6    -0.02  -0.01  -0.01    -0.05  -0.02  -0.03     0.00   0.00  -0.00
     8   8     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.01   0.01     0.02   0.02   0.04     0.00  -0.00   0.00
    15   6     0.02   0.00  -0.01     0.05   0.01  -0.03     0.00  -0.01  -0.00
    16   6    -0.02   0.01  -0.00    -0.04   0.02  -0.00    -0.00   0.01   0.00
    17   8     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.01   0.03   0.02    -0.01  -0.01  -0.01    -0.01  -0.01   0.02
    19   6    -0.00  -0.04  -0.03     0.00   0.01   0.01     0.00  -0.01  -0.00
    20   6    -0.05  -0.02   0.03     0.02   0.01  -0.01     0.01   0.01   0.00
    21   6    -0.03  -0.08  -0.12     0.01   0.03   0.04     0.00   0.04   0.06
    22   6    -0.02   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.02
    23   6    -0.02   0.22   0.03     0.01  -0.08  -0.01     0.04  -0.03  -0.03
    24   6     0.04  -0.19   0.07    -0.02   0.07  -0.02    -0.04   0.01  -0.01
    25   6    -0.04   0.02   0.00     0.02  -0.01  -0.00    -0.04   0.10  -0.02
    26   6     0.05   0.01   0.03    -0.02  -0.00  -0.01     0.03  -0.09   0.01
    27   6     0.02   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.00  -0.02
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.08  -0.20  -0.12    -0.03   0.07   0.04    -0.04   0.01  -0.13
    37   1     0.21  -0.15   0.22    -0.08   0.05  -0.08     0.05   0.03   0.08
    38   1    -0.06   0.33   0.27     0.02  -0.12  -0.10     0.03  -0.12   0.05
    39   1    -0.16   0.32   0.03     0.06  -0.12  -0.01    -0.07  -0.10  -0.13
    40   1    -0.06  -0.08  -0.15     0.02   0.03   0.05     0.01   0.01   0.20
    41   1     0.01  -0.10  -0.14    -0.00   0.04   0.05     0.08  -0.19   0.02
    42   1     0.05  -0.06  -0.09    -0.02   0.02   0.03    -0.04  -0.20  -0.41
    43   1     0.10   0.03   0.22    -0.04  -0.01  -0.08     0.12  -0.02   0.43
    44   1     0.18   0.11  -0.05    -0.06  -0.04   0.02    -0.12   0.16  -0.02
    45   1     0.04   0.04  -0.05    -0.02  -0.02   0.02     0.34   0.24  -0.07
    46   1    -0.10  -0.03  -0.03     0.03   0.01   0.01    -0.39  -0.03   0.06
    47   1    -0.00  -0.14   0.07     0.00   0.05  -0.02     0.03  -0.06   0.06
    48   1    -0.07   0.15  -0.02     0.02  -0.05   0.01    -0.01   0.01   0.04
    49   1    -0.09   0.08  -0.00     0.03  -0.03   0.00    -0.03   0.09  -0.01
    50   1     0.02  -0.02   0.03     0.05  -0.06   0.09    -0.00  -0.02   0.03
    51   1     0.00  -0.04   0.05     0.01  -0.10   0.14     0.01  -0.01  -0.00
    52   1     0.04   0.01  -0.08     0.10   0.03  -0.22     0.01  -0.00  -0.03
    53   1    -0.03  -0.01   0.01    -0.10  -0.03   0.03    -0.03  -0.00  -0.00
    54   1     0.01   0.01   0.02     0.04   0.04   0.05     0.03   0.02   0.01
    55   1     0.06   0.04   0.02     0.18   0.10   0.05    -0.01   0.01   0.00
    56   1    -0.02   0.12  -0.10    -0.06   0.33  -0.27     0.00  -0.01  -0.00
    57   1    -0.06   0.12  -0.01    -0.16   0.32  -0.04    -0.01  -0.01   0.01
    58   1     0.08  -0.05  -0.08     0.21  -0.15  -0.22     0.00   0.00  -0.01
    59   1     0.03  -0.07   0.04     0.08  -0.20   0.12    -0.00   0.00   0.01
    60   1    -0.02  -0.03   0.05    -0.06  -0.08   0.15     0.00   0.00  -0.02
    61   1    -0.03   0.05   0.01    -0.07   0.15   0.02    -0.00   0.00  -0.00
    62   1    -0.00  -0.05  -0.02    -0.00  -0.14  -0.07     0.00  -0.00  -0.00
    63   1    -0.03   0.03   0.00    -0.09   0.08   0.00    -0.00   0.01   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1022.2045              1030.3259              1030.4282
 Red. masses --      1.3729                 1.5938                 1.5916
 Frc consts  --      0.8452                 0.9969                 0.9957
 IR Inten    --      0.4102                 2.5147                12.2736
 RamAct Fr= 1--     14.5567               162.1703                12.9536
  Dep-P Fr= 1--      0.2519                 0.1858                 0.2109
  Dep-U Fr= 1--      0.4024                 0.3133                 0.3483
 Alpha2 Fr= 1--      0.1716                 2.2865                 0.1709
 Beta2  Fr= 1--      0.9763                 8.4682                 0.7519
 AlphaG Fr= 1--     60.4614              6517.5960               462.8329
 Gamma2 Fr= 1--     70.8314             35128.2277              2897.7742
 Delta2 Fr= 1--     -0.7660              -202.1140                -9.3348
 Raman1 Fr= 1--      58.227                648.681                 51.815
 ROA1   Fr= 1--    6775.307            3365842.213             277887.608
 CID1   Fr= 1--     116.360               5188.748               5363.119
 Raman2 Fr= 1--      11.715                101.619                  9.023
 ROA2   Fr= 1--    1706.083             844694.377              69621.260
 CID2   Fr= 1--     145.626               8312.392               7716.027
 Raman3 Fr= 1--      23.431                203.237                 18.046
 ROA3   Fr= 1--    6775.307            3365842.213             277887.608
 CID3   Fr= 1--     289.161              16561.137              15398.948
 RC180  Fr= 1--      -0.195                 -0.373                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.03  -0.03     0.05  -0.00   0.03     0.08  -0.00   0.05
     2   6    -0.00  -0.04   0.06    -0.01   0.01  -0.02    -0.02   0.02  -0.04
     3   6    -0.01   0.00  -0.02    -0.03  -0.00   0.02    -0.05  -0.01   0.03
     4   6     0.01   0.01   0.02     0.01   0.01  -0.01     0.01   0.02  -0.02
     5   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01
     6   6     0.04  -0.01  -0.01    -0.05  -0.00  -0.02    -0.09  -0.00  -0.03
     7   6    -0.01  -0.01   0.00     0.01  -0.01   0.00     0.01  -0.01   0.01
     8   8     0.00  -0.00  -0.00     0.01  -0.01   0.00     0.02  -0.01   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.02   0.00
    11   6     0.00  -0.01   0.00     0.00  -0.03  -0.01     0.00  -0.05  -0.01
    12   6     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.01  -0.02  -0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.01   0.01  -0.01
    14   6    -0.00   0.00  -0.02     0.04   0.01   0.01     0.06   0.02   0.01
    15   6    -0.03   0.09   0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    16   6     0.04  -0.10  -0.02     0.01  -0.01  -0.00     0.02  -0.01  -0.00
    17   8    -0.00   0.00  -0.00    -0.02   0.01   0.00     0.01  -0.01  -0.00
    18   6    -0.00  -0.00   0.00    -0.01  -0.02  -0.02     0.01   0.01   0.01
    19   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.01   0.00
    20   6     0.00   0.00   0.00    -0.01   0.01   0.01     0.01  -0.01  -0.00
    21   6     0.00   0.00   0.00     0.02  -0.02  -0.04    -0.01   0.01   0.02
    22   6     0.00  -0.00  -0.00     0.05   0.01   0.03    -0.03  -0.00  -0.02
    23   6     0.00  -0.00  -0.00    -0.08   0.00   0.05     0.05  -0.00  -0.03
    24   6    -0.00   0.00  -0.00     0.09   0.00  -0.03    -0.05  -0.00   0.02
    25   6    -0.00   0.01  -0.00    -0.02   0.01  -0.00     0.01  -0.01   0.00
    26   6     0.00  -0.01   0.00     0.02  -0.04   0.02    -0.01   0.03  -0.01
    27   6     0.00  -0.00  -0.00    -0.06  -0.02   0.01     0.04   0.01  -0.01
    28   6     0.00   0.00   0.00    -0.01   0.05  -0.01     0.00  -0.03   0.01
    29   6    -0.00   0.00  -0.00    -0.01   0.03  -0.00     0.01  -0.01   0.00
    30   9     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.01
    31   8    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.00
    33   9    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    34   9     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.01   0.00
    35   9    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.01
    36   1    -0.00   0.00  -0.01     0.09  -0.03   0.35    -0.05   0.02  -0.20
    37   1     0.00   0.00   0.01    -0.13  -0.09  -0.23     0.07   0.06   0.13
    38   1     0.00  -0.01   0.00    -0.06   0.13  -0.22     0.03  -0.08   0.13
    39   1    -0.00  -0.01  -0.01     0.18   0.08   0.23    -0.10  -0.05  -0.14
    40   1     0.00   0.00   0.01     0.13   0.08  -0.17    -0.07  -0.05   0.10
    41   1     0.01  -0.01   0.00     0.00  -0.03  -0.04    -0.00   0.02   0.03
    42   1    -0.00  -0.02  -0.03     0.01  -0.02  -0.05    -0.01   0.01   0.03
    43   1     0.01  -0.00   0.03     0.03   0.01   0.07    -0.02  -0.01  -0.04
    44   1    -0.01   0.01  -0.00    -0.01   0.11  -0.03     0.00  -0.06   0.02
    45   1     0.03   0.02  -0.01     0.15   0.12  -0.06    -0.09  -0.07   0.04
    46   1    -0.03  -0.00   0.00    -0.22  -0.03   0.03     0.13   0.02  -0.02
    47   1     0.00  -0.00   0.00     0.04   0.22  -0.06    -0.02  -0.13   0.03
    48   1    -0.00   0.00   0.00     0.13  -0.27   0.09    -0.07   0.16  -0.05
    49   1    -0.00   0.01  -0.00     0.11   0.07  -0.06    -0.06  -0.04   0.04
    50   1     0.04   0.20  -0.41    -0.01   0.01  -0.03    -0.01   0.02  -0.05
    51   1    -0.08   0.19   0.03    -0.00   0.02  -0.03    -0.00   0.03  -0.04
    52   1    -0.13   0.02   0.43    -0.02  -0.01   0.04    -0.03  -0.01   0.07
    53   1     0.39   0.03   0.06     0.13   0.02   0.02     0.21   0.03   0.03
    54   1    -0.34  -0.24  -0.07    -0.09  -0.07  -0.04    -0.15  -0.12  -0.06
    55   1     0.12  -0.16  -0.02     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    56   1    -0.03   0.12   0.05     0.03  -0.08  -0.13     0.06  -0.13  -0.22
    57   1     0.07   0.10  -0.13    -0.10  -0.05   0.14    -0.18  -0.08   0.23
    58   1    -0.05  -0.03   0.08     0.07   0.06  -0.13     0.13   0.09  -0.23
    59   1     0.04  -0.01  -0.13    -0.05   0.02   0.20    -0.09   0.03   0.35
    60   1    -0.02  -0.01   0.20    -0.07  -0.05  -0.10    -0.12  -0.08  -0.17
    61   1     0.01  -0.01   0.04    -0.07   0.16   0.05    -0.13   0.28   0.09
    62   1    -0.03   0.06   0.06    -0.02  -0.13  -0.03    -0.04  -0.22  -0.06
    63   1     0.03  -0.09  -0.01    -0.06  -0.04  -0.04    -0.11  -0.07  -0.06
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1085.6496              1086.2244              1110.3454
 Red. masses --      3.0674                 2.9269                 1.5604
 Frc consts  --      2.1301                 2.0347                 1.1334
 IR Inten    --    104.5155                 0.5052                 0.5985
 RamAct Fr= 1--     84.9007                33.0275               233.6560
  Dep-P Fr= 1--      0.7434                 0.6737                 0.5488
  Dep-U Fr= 1--      0.8528                 0.8051                 0.7087
 Alpha2 Fr= 1--      0.0095                 0.0446                 0.8992
 Beta2  Fr= 1--     12.0675                 4.4315                27.5990
 AlphaG Fr= 1--     -2.4879              -237.9057             -1009.4835
 Gamma2 Fr= 1--  21737.9715              5143.7054             11373.1503
 Delta2 Fr= 1--    253.1818               102.2714               261.3914
 Raman1 Fr= 1--     339.603                132.110                934.624
 ROA1   Fr= 1-- 2094947.086             497068.404            1100186.952
 CID1   Fr= 1--    6168.816               3762.540               1177.144
 Raman2 Fr= 1--     144.810                 53.178                331.188
 ROA2   Fr= 1--  519685.863             122630.759             270864.476
 CID2   Fr= 1--    3588.733               2306.037                817.857
 Raman3 Fr= 1--     289.621                106.356                662.377
 ROA3   Fr= 1-- 2094947.086             497068.404            1100186.952
 CID3   Fr= 1--    7233.413               4673.616               1660.969
 RC180  Fr= 1--       0.706                  0.610                  0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.03     0.02  -0.00   0.03    -0.03  -0.03  -0.01
     2   6     0.05  -0.02  -0.03     0.05  -0.02  -0.03     0.01  -0.03  -0.02
     3   6    -0.10   0.01   0.01    -0.10   0.01   0.01     0.02  -0.02  -0.01
     4   6     0.05   0.13   0.02     0.05   0.13   0.02     0.02   0.08   0.01
     5   6     0.03   0.06   0.01     0.03   0.06   0.01    -0.06   0.06   0.01
     6   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.01   0.00   0.00
     7   6     0.01  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.03  -0.01
     8   8    -0.01  -0.03  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.04   0.00    -0.00   0.04   0.00    -0.02   0.01   0.00
    11   6     0.01  -0.13  -0.02     0.01  -0.13  -0.02     0.01  -0.04  -0.00
    12   6     0.06  -0.09   0.00     0.06  -0.09   0.00     0.02  -0.03   0.00
    13   9    -0.02   0.02  -0.03    -0.02   0.02  -0.03    -0.01   0.01  -0.01
    14   6    -0.07  -0.06  -0.00    -0.07  -0.06  -0.00     0.04  -0.04   0.01
    15   6    -0.01   0.01  -0.01    -0.01   0.01  -0.01     0.01  -0.03   0.03
    16   6    -0.02   0.01   0.01    -0.02   0.01   0.01     0.03  -0.01   0.01
    17   8    -0.01  -0.04   0.01     0.01   0.03  -0.01     0.01   0.01  -0.00
    18   6     0.05   0.14  -0.02    -0.04  -0.13   0.02    -0.02  -0.07   0.01
    19   6     0.03   0.06  -0.01    -0.03  -0.06   0.01     0.05  -0.05   0.01
    20   6     0.01  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.03  -0.01
    21   6     0.05  -0.02   0.03    -0.05   0.02  -0.02    -0.01   0.02  -0.01
    22   6    -0.10   0.01  -0.01     0.10  -0.01   0.01    -0.02   0.02  -0.01
    23   6     0.02  -0.00  -0.03    -0.02   0.00   0.03     0.02   0.02  -0.01
    24   6    -0.01  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.00   0.00
    25   6    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01   0.01
    26   6    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.01   0.03   0.02
    27   6    -0.07  -0.06   0.00     0.07   0.05  -0.00    -0.03   0.04   0.01
    28   6     0.01  -0.14   0.02    -0.01   0.13  -0.02    -0.01   0.03  -0.00
    29   6     0.06  -0.10  -0.00    -0.06   0.09   0.00    -0.02   0.02   0.00
    30   9    -0.02   0.02   0.03     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    31   8    -0.00   0.04  -0.00     0.00  -0.03   0.00     0.01  -0.01   0.00
    32   9    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.00   0.00
    33   9     0.02   0.04  -0.01    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    34   9     0.02   0.04   0.01     0.02   0.04   0.01     0.00   0.01   0.00
    35   9    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.01   0.00   0.01
    36   1     0.13  -0.14   0.13    -0.13   0.14  -0.13     0.08  -0.08   0.09
    37   1    -0.04   0.07  -0.06     0.04  -0.07   0.07    -0.11   0.14  -0.16
    38   1    -0.01   0.21   0.18     0.01  -0.21  -0.18     0.00   0.10   0.12
    39   1    -0.01  -0.10  -0.11     0.01   0.10   0.11    -0.00  -0.21  -0.17
    40   1     0.11   0.01   0.03    -0.10  -0.01  -0.03    -0.17  -0.14   0.19
    41   1     0.00  -0.04  -0.05    -0.00   0.04   0.05     0.00  -0.04  -0.06
    42   1     0.02  -0.02  -0.04    -0.02   0.02   0.04     0.04  -0.01  -0.01
    43   1     0.03   0.01   0.06    -0.03  -0.01  -0.06     0.05   0.02   0.10
    44   1     0.04  -0.00  -0.01    -0.04   0.00   0.01     0.12  -0.00  -0.02
    45   1    -0.04  -0.02   0.00     0.04   0.02  -0.00    -0.13  -0.07  -0.01
    46   1     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.03  -0.03  -0.05
    47   1     0.09   0.14   0.02    -0.08  -0.14  -0.02    -0.01   0.17  -0.08
    48   1     0.15  -0.35   0.17    -0.14   0.33  -0.16     0.03  -0.05  -0.03
    49   1     0.10   0.14  -0.08    -0.09  -0.14   0.07     0.06   0.00  -0.03
    50   1     0.02  -0.02   0.04     0.02  -0.02   0.04    -0.04   0.02  -0.02
    51   1     0.00  -0.04   0.05     0.00  -0.04   0.05    -0.00   0.05  -0.08
    52   1     0.03   0.01  -0.06     0.03   0.01  -0.06    -0.06  -0.03   0.12
    53   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.04   0.04  -0.06
    54   1    -0.04  -0.02  -0.00    -0.04  -0.02  -0.00     0.16   0.09  -0.01
    55   1     0.03  -0.00   0.01     0.04  -0.00   0.01    -0.15   0.00  -0.03
    56   1    -0.01   0.20  -0.17    -0.01   0.22  -0.18    -0.01  -0.13   0.16
    57   1    -0.01  -0.10   0.10    -0.01  -0.11   0.11     0.01   0.27  -0.22
    58   1    -0.03   0.07   0.06    -0.04   0.07   0.07     0.14  -0.17  -0.20
    59   1     0.12  -0.14  -0.12     0.13  -0.15  -0.13    -0.10   0.10   0.11
    60   1     0.11   0.01  -0.03     0.11   0.01  -0.03     0.22   0.17   0.23
    61   1     0.14  -0.34  -0.16     0.14  -0.35  -0.17    -0.04   0.06  -0.04
    62   1     0.08   0.14  -0.02     0.08   0.14  -0.02     0.02  -0.21  -0.10
    63   1     0.09   0.13   0.07     0.10   0.14   0.08    -0.08  -0.00  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1110.3815              1121.8957              1122.6327
 Red. masses --      1.5376                 6.1422                 6.2567
 Frc consts  --      1.1169                 4.5549                 4.6459
 IR Inten    --     47.9716                 5.3856               371.6727
 RamAct Fr= 1--     54.1185                53.6762                30.2863
  Dep-P Fr= 1--      0.7053                 0.7473                 0.2147
  Dep-U Fr= 1--      0.8272                 0.8554                 0.3535
 Alpha2 Fr= 1--      0.0420                 0.0025                 0.3955
 Beta2  Fr= 1--      7.4610                 7.6520                 1.7841
 AlphaG Fr= 1--    -24.9527                -0.4236               367.1383
 Gamma2 Fr= 1--  15745.7735             10094.0141              -457.5115
 Delta2 Fr= 1--    202.2399               123.6025               -42.8643
 Raman1 Fr= 1--     216.474                214.705                121.145
 ROA1   Fr= 1-- 1518065.934             972980.633             -45292.764
 CID1   Fr= 1--    7012.693               4531.714               -373.871
 Raman2 Fr= 1--      89.532                 91.824                 21.410
 ROA2   Fr= 1--  376280.644             241267.518             -10637.363
 CID2   Fr= 1--    4202.763               2627.498               -496.846
 Raman3 Fr= 1--     179.063                183.648                 42.820
 ROA3   Fr= 1-- 1518065.934             972980.633             -45292.764
 CID3   Fr= 1--    8477.810               5298.071              -1057.759
 RC180  Fr= 1--       0.654                  0.711                 -0.293
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.01    -0.01   0.01  -0.04    -0.01   0.01  -0.03
     2   6     0.00  -0.02  -0.01    -0.01  -0.01   0.05    -0.01  -0.01   0.04
     3   6     0.02  -0.02  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.01
     4   6     0.02   0.06   0.00     0.01   0.04  -0.00     0.01   0.05  -0.00
     5   6    -0.05   0.05   0.01    -0.02  -0.03   0.07    -0.02  -0.03   0.07
     6   6    -0.01   0.00   0.00     0.03   0.00  -0.03     0.03   0.00  -0.03
     7   6    -0.00   0.03  -0.01    -0.02  -0.03   0.02    -0.02  -0.03   0.02
     8   8    -0.01  -0.01  -0.00    -0.01  -0.00   0.00    -0.01  -0.01   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.01   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    11   6     0.01  -0.03  -0.00     0.01   0.00  -0.06     0.01  -0.00  -0.06
    12   6     0.02  -0.02   0.00    -0.03  -0.08   0.40    -0.03  -0.07   0.39
    13   9    -0.01   0.01  -0.01    -0.05   0.04  -0.11    -0.05   0.04  -0.11
    14   6     0.03  -0.03   0.01     0.01   0.02  -0.05     0.01   0.02  -0.05
    15   6     0.01  -0.03   0.02     0.01   0.01  -0.02     0.01   0.01  -0.02
    16   6     0.02  -0.01   0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    17   8    -0.01  -0.01   0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
    18   6     0.02   0.08  -0.01     0.01   0.04   0.00    -0.01  -0.05  -0.00
    19   6    -0.06   0.06  -0.01    -0.02  -0.03  -0.06     0.02   0.03   0.07
    20   6    -0.01   0.03   0.01    -0.02  -0.03  -0.02     0.02   0.03   0.02
    21   6     0.01  -0.02   0.02    -0.01  -0.01  -0.04     0.01   0.01   0.04
    22   6     0.02  -0.02   0.01     0.02  -0.01  -0.01    -0.01   0.01   0.01
    23   6    -0.03  -0.03   0.01    -0.01   0.01   0.03     0.01  -0.01  -0.04
    24   6    -0.01   0.00  -0.00     0.03   0.00   0.03    -0.03  -0.00  -0.03
    25   6     0.03  -0.01  -0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    26   6     0.01  -0.03  -0.03     0.01   0.01   0.02    -0.01  -0.01  -0.02
    27   6     0.04  -0.04  -0.01     0.01   0.02   0.05    -0.01  -0.02  -0.05
    28   6     0.01  -0.04   0.00     0.01   0.00   0.06    -0.01   0.00  -0.06
    29   6     0.02  -0.03  -0.01    -0.03  -0.07  -0.39     0.03   0.08   0.41
    30   9    -0.01   0.01   0.01    -0.05   0.04   0.11     0.05  -0.04  -0.11
    31   8    -0.02   0.01  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    32   9    -0.01   0.00  -0.00     0.06  -0.00   0.09    -0.07   0.00  -0.09
    33   9     0.00   0.01  -0.00    -0.00   0.00   0.03     0.00  -0.00  -0.03
    34   9     0.00   0.01   0.00    -0.00   0.00  -0.03    -0.00   0.00  -0.03
    35   9    -0.01   0.00   0.00     0.07  -0.00  -0.09     0.06  -0.00  -0.09
    36   1    -0.10   0.10  -0.12    -0.12   0.15  -0.10     0.12  -0.16   0.10
    37   1     0.14  -0.17   0.20    -0.05   0.01  -0.05     0.05  -0.01   0.05
    38   1    -0.00  -0.14  -0.16     0.01  -0.12  -0.11    -0.01   0.13   0.12
    39   1     0.01   0.27   0.22     0.05  -0.11  -0.02    -0.05   0.11   0.01
    40   1     0.21   0.17  -0.23     0.14   0.03   0.17    -0.16  -0.04  -0.17
    41   1    -0.00   0.05   0.08     0.01  -0.02  -0.01    -0.01   0.02   0.01
    42   1    -0.04   0.02   0.02     0.02  -0.01  -0.01    -0.02   0.01   0.02
    43   1    -0.06  -0.03  -0.12     0.04   0.02   0.09    -0.04  -0.02  -0.09
    44   1    -0.15   0.00   0.03     0.10   0.03  -0.02    -0.10  -0.03   0.02
    45   1     0.16   0.09   0.01    -0.05  -0.02  -0.03     0.05   0.02   0.03
    46   1    -0.04   0.04   0.06    -0.01  -0.03  -0.04     0.01   0.03   0.04
    47   1     0.02  -0.21   0.10    -0.09   0.09  -0.12     0.09  -0.09   0.12
    48   1    -0.04   0.07   0.03    -0.01   0.03  -0.13     0.01  -0.03   0.14
    49   1    -0.08  -0.01   0.04     0.05  -0.22   0.04    -0.06   0.23  -0.05
    50   1    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.02  -0.01   0.01
    51   1    -0.00   0.04  -0.06     0.01  -0.03   0.01     0.01  -0.02   0.01
    52   1    -0.05  -0.02   0.09     0.04   0.02  -0.09     0.04   0.02  -0.08
    53   1    -0.04   0.03  -0.05    -0.01  -0.03   0.04    -0.01  -0.03   0.03
    54   1     0.13   0.07  -0.01    -0.05  -0.02   0.03    -0.05  -0.02   0.03
    55   1    -0.12   0.00  -0.02     0.11   0.03   0.02     0.10   0.02   0.02
    56   1    -0.00  -0.11   0.13     0.02  -0.13   0.12     0.01  -0.12   0.11
    57   1     0.01   0.21  -0.18     0.05  -0.12   0.02     0.05  -0.11   0.01
    58   1     0.11  -0.14  -0.16    -0.05   0.01   0.05    -0.04   0.01   0.05
    59   1    -0.08   0.08   0.10    -0.12   0.15   0.10    -0.12   0.15   0.10
    60   1     0.17   0.13   0.18     0.14   0.03  -0.18     0.15   0.03  -0.16
    61   1    -0.03   0.06  -0.03    -0.01   0.03   0.14    -0.01   0.03   0.13
    62   1     0.01  -0.17  -0.08    -0.09   0.10   0.13    -0.08   0.09   0.12
    63   1    -0.06  -0.01  -0.03     0.06  -0.23  -0.05     0.05  -0.22  -0.04
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1133.7756              1133.9760              1157.3013
 Red. masses --      2.3007                 2.3137                 2.2787
 Frc consts  --      1.7425                 1.7529                 1.7981
 IR Inten    --     55.6396                31.5157                46.3868
 RamAct Fr= 1--     83.4889               294.3644                20.3593
  Dep-P Fr= 1--      0.7141                 0.4699                 0.7450
  Dep-U Fr= 1--      0.8332                 0.6393                 0.8539
 Alpha2 Fr= 1--      0.0519                 1.6624                 0.0017
 Beta2  Fr= 1--     11.5935                31.3655                 2.8974
 AlphaG Fr= 1--    -17.1433              -828.4608                -0.7155
 Gamma2 Fr= 1--  16627.3371              5643.1503              5399.0897
 Delta2 Fr= 1--    230.8162               203.3607                60.7371
 Raman1 Fr= 1--     333.955               1177.458                 81.437
 ROA1   Fr= 1-- 1603610.477             548249.976             520256.195
 CID1   Fr= 1--    4801.869                465.622               6388.431
 Raman2 Fr= 1--     139.122                376.386                 34.768
 ROA2   Fr= 1--  397209.561             133808.722             129092.256
 CID2   Fr= 1--    2855.123                355.509               3712.911
 Raman3 Fr= 1--     278.243                752.772                 69.537
 ROA3   Fr= 1-- 1603610.477             548249.976             520256.195
 CID3   Fr= 1--    5763.337                728.308               7481.722
 RC180  Fr= 1--       0.666                  0.279                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01   0.01  -0.02    -0.05  -0.02  -0.06
     2   6    -0.00   0.01  -0.01     0.00  -0.02   0.02     0.04   0.05   0.08
     3   6    -0.02   0.02   0.00     0.02  -0.02  -0.01    -0.05   0.04  -0.02
     4   6    -0.02  -0.06   0.01     0.02   0.08  -0.02     0.01   0.01   0.02
     5   6     0.02   0.03  -0.11    -0.03  -0.03   0.14    -0.01  -0.06  -0.08
     6   6    -0.02  -0.01   0.05     0.03   0.01  -0.06     0.03  -0.00   0.04
     7   6     0.03   0.03  -0.03    -0.04  -0.03   0.04     0.06  -0.07  -0.01
     8   8     0.01   0.01  -0.00    -0.02  -0.01   0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.01   0.02  -0.01     0.01  -0.03   0.01    -0.00  -0.01   0.00
    12   6    -0.01   0.00   0.09     0.01   0.00  -0.12     0.06  -0.02  -0.02
    13   9    -0.01   0.01  -0.02     0.01  -0.01   0.03    -0.01   0.00  -0.00
    14   6    -0.01  -0.02   0.07     0.01   0.02  -0.10     0.00   0.03   0.04
    15   6    -0.02  -0.01   0.02     0.02   0.01  -0.03    -0.03   0.03   0.00
    16   6     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.03   0.03   0.01
    17   8     0.02   0.01   0.00     0.01   0.01   0.00     0.01  -0.01   0.00
    18   6    -0.02  -0.08  -0.02    -0.02  -0.07  -0.01     0.01   0.01  -0.02
    19   6     0.03   0.03   0.14     0.02   0.02   0.11    -0.01  -0.06   0.09
    20   6     0.03   0.03   0.04     0.03   0.03   0.03     0.07  -0.07   0.02
    21   6    -0.00   0.02   0.02    -0.00   0.02   0.01     0.04   0.05  -0.09
    22   6    -0.02   0.02  -0.01    -0.01   0.02  -0.00    -0.05   0.04   0.02
    23   6     0.02  -0.01  -0.02     0.01  -0.00  -0.01    -0.05  -0.02   0.06
    24   6    -0.03  -0.01  -0.06    -0.02  -0.01  -0.05     0.03  -0.00  -0.04
    25   6     0.01  -0.02  -0.03     0.01  -0.02  -0.02    -0.03   0.03  -0.01
    26   6    -0.02  -0.01  -0.03    -0.02  -0.01  -0.02    -0.03   0.03  -0.00
    27   6    -0.01  -0.02  -0.09    -0.01  -0.02  -0.08     0.00   0.03  -0.05
    28   6    -0.01   0.03   0.02    -0.01   0.03   0.01    -0.00  -0.01  -0.00
    29   6    -0.01  -0.00  -0.12    -0.01  -0.00  -0.09     0.06  -0.02   0.02
    30   9    -0.01   0.01   0.03    -0.01   0.01   0.02    -0.01   0.00   0.00
    31   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.01  -0.00
    32   9     0.02  -0.00   0.03     0.02  -0.00   0.02    -0.02   0.00  -0.02
    33   9    -0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.01  -0.00  -0.00
    34   9    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.01  -0.00   0.00
    35   9     0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.02   0.00   0.02
    36   1     0.12  -0.17   0.13     0.09  -0.13   0.10    -0.19   0.22  -0.13
    37   1     0.06  -0.05   0.03     0.05  -0.04   0.03     0.01  -0.15  -0.02
    38   1    -0.02   0.19   0.13    -0.01   0.15   0.10    -0.01  -0.09  -0.24
    39   1    -0.04   0.10   0.03    -0.03   0.09   0.03     0.13  -0.03   0.14
    40   1    -0.20  -0.07  -0.13    -0.17  -0.06  -0.10     0.11   0.02   0.22
    41   1    -0.01   0.04   0.00    -0.01   0.03  -0.00     0.03  -0.11  -0.05
    42   1    -0.03   0.01   0.01    -0.03   0.01   0.01     0.04  -0.06  -0.13
    43   1    -0.04  -0.02  -0.12    -0.03  -0.01  -0.10     0.06   0.00   0.18
    44   1    -0.14  -0.06   0.04    -0.11  -0.05   0.03     0.03  -0.09   0.02
    45   1     0.04   0.00   0.06     0.03   0.00   0.05    -0.14  -0.10   0.05
    46   1     0.05   0.05   0.05     0.04   0.04   0.04     0.12  -0.00  -0.04
    47   1     0.14  -0.16   0.20     0.11  -0.13   0.16     0.02  -0.05   0.05
    48   1    -0.01  -0.00   0.21    -0.01   0.00   0.17    -0.04   0.10   0.04
    49   1    -0.11   0.38  -0.07    -0.09   0.30  -0.06    -0.07   0.15  -0.02
    50   1    -0.03   0.01  -0.01     0.03  -0.01   0.01     0.04  -0.06   0.12
    51   1    -0.01   0.03  -0.00     0.01  -0.03  -0.00     0.03  -0.10   0.05
    52   1    -0.04  -0.02   0.10     0.04   0.02  -0.12     0.06   0.00  -0.17
    53   1     0.04   0.04  -0.04    -0.05  -0.05   0.05     0.11  -0.00   0.03
    54   1     0.04   0.00  -0.05    -0.04  -0.00   0.06    -0.13  -0.10  -0.04
    55   1    -0.11  -0.05  -0.03     0.14   0.06   0.04     0.03  -0.09  -0.02
    56   1    -0.01   0.15  -0.11     0.02  -0.19   0.13    -0.01  -0.08   0.22
    57   1    -0.03   0.08  -0.02     0.04  -0.11   0.03     0.13  -0.03  -0.13
    58   1     0.04  -0.04  -0.02    -0.06   0.05   0.03     0.01  -0.15   0.02
    59   1     0.10  -0.13  -0.11    -0.12   0.16   0.13    -0.19   0.21   0.13
    60   1    -0.16  -0.05   0.10     0.21   0.07  -0.13     0.11   0.02  -0.21
    61   1    -0.00  -0.00  -0.17     0.01   0.00   0.21    -0.04   0.09  -0.03
    62   1     0.11  -0.13  -0.16    -0.14   0.16   0.21     0.02  -0.04  -0.04
    63   1    -0.09   0.30   0.06     0.11  -0.38  -0.07    -0.07   0.15   0.02
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1157.4858              1174.9639              1175.2427
 Red. masses --      2.2578                 2.4427                 2.4958
 Frc consts  --      1.7822                 1.9869                 2.0310
 IR Inten    --      3.2696                 1.5614                59.5246
 RamAct Fr= 1--     24.0210               206.9302               110.4219
  Dep-P Fr= 1--      0.3969                 0.1064                 0.7499
  Dep-U Fr= 1--      0.5683                 0.1924                 0.8571
 Alpha2 Fr= 1--      0.1799                 3.5662                 0.0002
 Beta2  Fr= 1--      2.2750                 6.6360                15.7734
 AlphaG Fr= 1--    284.5107              5208.2961                 2.8629
 Gamma2 Fr= 1--     52.5145              1480.1174             32428.7185
 Delta2 Fr= 1--    -19.5721              -404.1002               403.5072
 Raman1 Fr= 1--      96.084                827.721                441.688
 ROA1   Fr= 1--    4415.080             129160.060            3126069.202
 CID1   Fr= 1--      45.950                156.043               7077.556
 Raman2 Fr= 1--      27.300                 79.632                189.281
 ROA2   Fr= 1--    1416.924              38755.619             775061.185
 CID2   Fr= 1--      51.902                486.686               4094.775
 Raman3 Fr= 1--      54.600                159.263                378.561
 ROA3   Fr= 1--    4415.080             129160.060            3126069.202
 CID3   Fr= 1--      80.862                810.984               8257.768
 RC180  Fr= 1--       0.137                 -0.615                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.06    -0.00   0.01   0.05    -0.00   0.01   0.04
     2   6    -0.04  -0.05  -0.09     0.02  -0.02  -0.03     0.01  -0.02  -0.03
     3   6     0.05  -0.04   0.02    -0.05   0.02   0.00    -0.04   0.02   0.00
     4   6    -0.01  -0.01  -0.02    -0.01  -0.04  -0.03    -0.01  -0.04  -0.02
     5   6     0.02   0.06   0.09     0.12  -0.08   0.05     0.10  -0.07   0.04
     6   6    -0.03   0.00  -0.04    -0.04  -0.01  -0.05    -0.04  -0.01  -0.04
     7   6    -0.07   0.07   0.01     0.10   0.06  -0.06     0.08   0.05  -0.05
     8   8    -0.01   0.01   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     9  29     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01  -0.00     0.02   0.00   0.00     0.01   0.00   0.00
    11   6     0.00   0.02  -0.00    -0.02   0.03   0.00    -0.02   0.03   0.00
    12   6    -0.06   0.02   0.03     0.09   0.03   0.02     0.08   0.03   0.02
    13   9     0.01  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    14   6    -0.00  -0.03  -0.04    -0.06   0.04  -0.02    -0.05   0.03  -0.02
    15   6     0.03  -0.03  -0.00    -0.04  -0.01   0.02    -0.04  -0.01   0.02
    16   6     0.03  -0.04  -0.01    -0.04  -0.02   0.02    -0.03  -0.02   0.02
    17   8     0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    18   6     0.01   0.01  -0.02     0.00   0.03  -0.02    -0.01  -0.04   0.03
    19   6    -0.02  -0.05   0.08    -0.10   0.07   0.04     0.12  -0.08  -0.05
    20   6     0.06  -0.07   0.01    -0.08  -0.05  -0.06     0.10   0.06   0.06
    21   6     0.04   0.05  -0.08    -0.01   0.02  -0.03     0.02  -0.02   0.03
    22   6    -0.05   0.04   0.02     0.05  -0.02   0.00    -0.05   0.02  -0.00
    23   6    -0.05  -0.02   0.06     0.00  -0.01   0.04    -0.00   0.01  -0.05
    24   6     0.03  -0.00  -0.04     0.04   0.01  -0.04    -0.04  -0.01   0.05
    25   6    -0.03   0.03  -0.01     0.03   0.02   0.02    -0.04  -0.02  -0.02
    26   6    -0.02   0.03  -0.00     0.04   0.01   0.02    -0.04  -0.01  -0.02
    27   6     0.00   0.03  -0.04     0.05  -0.03  -0.02    -0.06   0.04   0.03
    28   6    -0.00  -0.02  -0.00     0.02  -0.02   0.00    -0.02   0.03  -0.00
    29   6     0.05  -0.02   0.02    -0.07  -0.03   0.02     0.09   0.03  -0.02
    30   9    -0.01   0.00   0.00     0.01  -0.00  -0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.00  -0.02     0.01   0.00   0.00    -0.01  -0.00  -0.01
    33   9    -0.00   0.00  -0.00     0.02   0.02  -0.01    -0.02  -0.02   0.01
    34   9     0.00  -0.00  -0.00    -0.02  -0.02  -0.01    -0.02  -0.02  -0.01
    35   9     0.02  -0.00  -0.02    -0.01  -0.00   0.01    -0.01  -0.00   0.01
    36   1    -0.19   0.21  -0.13     0.05  -0.03   0.19    -0.05   0.02  -0.22
    37   1     0.01  -0.15  -0.02    -0.06  -0.04  -0.13     0.07   0.05   0.15
    38   1    -0.01  -0.08  -0.23    -0.01   0.16   0.06     0.01  -0.19  -0.06
    39   1     0.13  -0.04   0.13     0.07  -0.25  -0.08    -0.09   0.29   0.09
    40   1     0.11   0.02   0.21    -0.11  -0.11   0.23     0.12   0.12  -0.27
    41   1     0.03  -0.10  -0.04     0.03   0.02   0.14    -0.03  -0.02  -0.16
    42   1     0.04  -0.06  -0.12    -0.05  -0.00  -0.00     0.05   0.00   0.01
    43   1     0.05   0.00   0.17    -0.04  -0.04   0.02     0.05   0.05  -0.02
    44   1     0.03  -0.09   0.02     0.11   0.05  -0.03    -0.13  -0.06   0.03
    45   1    -0.13  -0.10   0.04     0.02   0.02  -0.04    -0.02  -0.02   0.04
    46   1     0.11  -0.00  -0.03     0.00  -0.02  -0.03    -0.01   0.02   0.03
    47   1     0.02  -0.05   0.04     0.01  -0.22   0.10    -0.01   0.26  -0.11
    48   1    -0.04   0.09   0.03    -0.05   0.10   0.05     0.06  -0.12  -0.06
    49   1    -0.07   0.14  -0.02    -0.11   0.01   0.04     0.13  -0.01  -0.05
    50   1    -0.04   0.06  -0.13     0.05   0.00  -0.00     0.04   0.00  -0.01
    51   1    -0.03   0.11  -0.05    -0.03  -0.02   0.16    -0.03  -0.01   0.14
    52   1    -0.06  -0.00   0.18     0.05   0.05   0.02     0.04   0.04   0.02
    53   1    -0.12   0.00  -0.04    -0.00   0.02  -0.03    -0.01   0.02  -0.03
    54   1     0.14   0.10   0.05    -0.02  -0.03  -0.04    -0.02  -0.02  -0.04
    55   1    -0.03   0.09   0.02    -0.13  -0.06  -0.03    -0.11  -0.05  -0.03
    56   1     0.01   0.09  -0.24     0.01  -0.19   0.07     0.01  -0.16   0.05
    57   1    -0.13   0.04   0.14    -0.08   0.29  -0.10    -0.08   0.25  -0.08
    58   1    -0.01   0.16  -0.02     0.08   0.05  -0.15     0.06   0.04  -0.13
    59   1     0.19  -0.22  -0.13    -0.05   0.03   0.22    -0.04   0.02   0.18
    60   1    -0.12  -0.02   0.22     0.13   0.12   0.26     0.10   0.10   0.23
    61   1     0.04  -0.10   0.03     0.06  -0.12   0.06     0.05  -0.10   0.05
    62   1    -0.02   0.05   0.05    -0.01   0.26   0.11    -0.01   0.22   0.10
    63   1     0.08  -0.15  -0.02     0.13  -0.01   0.05     0.11  -0.01   0.04
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1181.0040              1181.2365              1204.7122
 Red. masses --      4.1678                 4.4815                 2.3164
 Frc consts  --      3.4250                 3.6842                 1.9808
 IR Inten    --     72.4988                 0.9736               253.2293
 RamAct Fr= 1--     25.1727               116.2439                 1.6621
  Dep-P Fr= 1--      0.7297                 0.3232                 0.7177
  Dep-U Fr= 1--      0.8437                 0.4885                 0.8356
 Alpha2 Fr= 1--      0.0088                 1.1111                 0.0009
 Beta2  Fr= 1--      3.5397                 9.4635                 0.2315
 AlphaG Fr= 1--      9.4085              2484.3308                 2.0940
 Gamma2 Fr= 1--   5832.4913              5441.1408                73.3503
 Delta2 Fr= 1--     65.9903              -393.2672                 1.1350
 Raman1 Fr= 1--     100.691                464.976                  6.649
 ROA1   Fr= 1--  562030.857             509764.968               7077.949
 CID1   Fr= 1--    5581.753               1096.326               1064.588
 Raman2 Fr= 1--      42.476                113.562                  2.778
 ROA2   Fr= 1--  139451.870             133733.517               1751.327
 CID2   Fr= 1--    3283.055               1177.623                630.457
 Raman3 Fr= 1--      84.953                227.124                  5.556
 ROA3   Fr= 1--  562030.857             509764.968               7077.949
 CID3   Fr= 1--    6615.824               2244.430               1273.989
 RC180  Fr= 1--       0.687                 -0.023                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02    -0.00  -0.01   0.02     0.01   0.01   0.01
     2   6     0.03  -0.03  -0.04     0.03  -0.03  -0.05    -0.01  -0.01  -0.03
     3   6    -0.08   0.03   0.01    -0.08   0.03   0.01    -0.08  -0.02  -0.01
     4   6    -0.01  -0.05   0.00    -0.02  -0.06   0.00     0.00   0.03   0.01
     5   6    -0.07  -0.03   0.01    -0.08  -0.03   0.00     0.04  -0.04  -0.03
     6   6     0.03   0.03  -0.00     0.04   0.03  -0.00     0.00  -0.01  -0.01
     7   6    -0.11  -0.02   0.02    -0.12  -0.02   0.03    -0.08  -0.08  -0.03
     8   8     0.04  -0.00   0.00     0.04  -0.00  -0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.01   0.01  -0.00     0.06   0.00  -0.00
    11   6    -0.03   0.05   0.01    -0.03   0.06   0.01    -0.01   0.00   0.00
    12   6     0.25   0.05   0.03     0.30   0.05   0.03    -0.11   0.07   0.00
    13   9    -0.03   0.01  -0.03    -0.04   0.01  -0.03     0.02  -0.01   0.02
    14   6     0.05   0.02  -0.01     0.05   0.02  -0.01    -0.02   0.02   0.01
    15   6     0.04  -0.00   0.00     0.04  -0.01   0.00     0.02   0.03   0.03
    16   6     0.05   0.02  -0.01     0.05   0.02  -0.01     0.04   0.04   0.02
    17   8     0.04  -0.00  -0.00    -0.04   0.00  -0.00     0.01  -0.01   0.00
    18   6    -0.01  -0.06  -0.00     0.01   0.06   0.00     0.00   0.03  -0.01
    19   6    -0.08  -0.03  -0.01     0.07   0.03   0.00     0.04  -0.04   0.03
    20   6    -0.12  -0.02  -0.03     0.11   0.02   0.02    -0.08  -0.08   0.03
    21   6     0.03  -0.03   0.05    -0.03   0.03  -0.04    -0.01  -0.01   0.03
    22   6    -0.08   0.03  -0.01     0.07  -0.03   0.01    -0.08  -0.02   0.01
    23   6    -0.00  -0.01  -0.02     0.00   0.01   0.02     0.01   0.01  -0.01
    24   6     0.04   0.03   0.00    -0.03  -0.03  -0.00     0.00  -0.01   0.01
    25   6     0.05   0.02   0.01    -0.05  -0.02  -0.01     0.04   0.04  -0.02
    26   6     0.05  -0.01  -0.00    -0.04   0.00   0.00     0.02   0.03  -0.03
    27   6     0.05   0.02   0.01    -0.04  -0.02  -0.01    -0.02   0.02  -0.01
    28   6    -0.03   0.05  -0.01     0.03  -0.05   0.01    -0.01   0.00  -0.00
    29   6     0.27   0.05  -0.03    -0.27  -0.05   0.03    -0.11   0.07  -0.00
    30   9    -0.04   0.01   0.03     0.04  -0.01  -0.03     0.02  -0.01  -0.02
    31   8     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.06   0.00   0.00
    32   9    -0.05   0.00  -0.03     0.05  -0.00   0.03     0.03  -0.01   0.02
    33   9    -0.06  -0.06   0.02     0.06   0.05  -0.02     0.01  -0.01   0.00
    34   9    -0.06  -0.05  -0.02    -0.07  -0.06  -0.02     0.01  -0.01  -0.00
    35   9    -0.04   0.00   0.03    -0.05   0.00   0.03     0.03  -0.01  -0.02
    36   1     0.10  -0.05   0.22    -0.10   0.05  -0.21    -0.03   0.02  -0.06
    37   1    -0.08   0.02  -0.12     0.08  -0.02   0.11    -0.05   0.06  -0.07
    38   1    -0.03   0.20   0.12     0.03  -0.18  -0.11     0.00  -0.03   0.01
    39   1     0.03  -0.14  -0.09    -0.03   0.12   0.08    -0.02  -0.04  -0.06
    40   1     0.20   0.10  -0.08    -0.17  -0.08   0.07     0.40   0.31  -0.20
    41   1     0.03   0.05   0.20    -0.02  -0.05  -0.18     0.05  -0.01   0.20
    42   1    -0.10  -0.01  -0.03     0.10   0.01   0.03    -0.11  -0.04  -0.11
    43   1    -0.08  -0.07  -0.05     0.07   0.06   0.04    -0.09  -0.09   0.01
    44   1     0.03   0.06  -0.02    -0.03  -0.05   0.02    -0.01  -0.06   0.02
    45   1     0.12   0.07  -0.02    -0.11  -0.06   0.02     0.04  -0.00   0.06
    46   1     0.01   0.02   0.02    -0.01  -0.02  -0.02     0.16   0.06   0.01
    47   1    -0.06  -0.10  -0.03     0.06   0.09   0.02     0.01   0.06  -0.01
    48   1    -0.07   0.17  -0.09     0.06  -0.16   0.08     0.00  -0.01   0.01
    49   1    -0.07  -0.11   0.06     0.06   0.09  -0.05     0.01   0.08  -0.03
    50   1    -0.10  -0.01   0.03    -0.10  -0.01   0.03    -0.11  -0.04   0.11
    51   1     0.02   0.05  -0.19     0.03   0.05  -0.20     0.05  -0.01  -0.19
    52   1    -0.08  -0.06   0.04    -0.08  -0.07   0.05    -0.08  -0.09  -0.01
    53   1     0.01   0.02  -0.02     0.01   0.02  -0.02     0.15   0.06  -0.01
    54   1     0.11   0.07   0.02     0.12   0.07   0.02     0.04  -0.00  -0.06
    55   1     0.03   0.05   0.02     0.03   0.06   0.02    -0.01  -0.06  -0.02
    56   1    -0.03   0.19  -0.11    -0.03   0.20  -0.12     0.00  -0.03  -0.01
    57   1     0.03  -0.13   0.08     0.03  -0.14   0.09    -0.02  -0.04   0.06
    58   1    -0.08   0.01   0.11    -0.09   0.02   0.12    -0.05   0.05   0.07
    59   1     0.09  -0.05  -0.21     0.10  -0.06  -0.22    -0.03   0.02   0.06
    60   1     0.18   0.09   0.07     0.18   0.09   0.08     0.39   0.30   0.20
    61   1    -0.06   0.16   0.08    -0.07   0.17   0.08     0.00  -0.01  -0.01
    62   1    -0.06  -0.10   0.02    -0.06  -0.10   0.02     0.01   0.06   0.01
    63   1    -0.06  -0.10  -0.06    -0.07  -0.10  -0.06     0.01   0.07   0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1206.8119              1212.9739              1213.3315
 Red. masses --      2.1732                 2.1629                 2.0964
 Frc consts  --      1.8647                 1.8749                 1.8183
 IR Inten    --      0.2318                 6.0442               159.3474
 RamAct Fr= 1--    797.7431               330.1307                14.4723
  Dep-P Fr= 1--      0.1371                 0.3032                 0.6574
  Dep-U Fr= 1--      0.2412                 0.4653                 0.7933
 Alpha2 Fr= 1--     12.7388                 3.3540                 0.0240
 Beta2  Fr= 1--     32.0708                25.6000                 1.9135
 AlphaG Fr= 1--  26678.0665             11383.4742               100.2409
 Gamma2 Fr= 1--  69577.7431             92540.3558              3645.8513
 Delta2 Fr= 1--  -2097.6309              -341.1951                14.6023
 Raman1 Fr= 1--    3190.972               1320.523                 57.889
 ROA1   Fr= 1-- 6612339.148            8872955.910             350468.998
 CID1   Fr= 1--    2072.202               6719.275               6054.136
 Raman2 Fr= 1--     384.849                307.200                 22.961
 ROA2   Fr= 1-- 1686646.882            2223698.099              87383.612
 CID2   Fr= 1--    4382.619               7238.611               3805.671
 Raman3 Fr= 1--     769.698                614.399                 45.923
 ROA3   Fr= 1-- 6612339.148            8872955.910             350468.998
 CID3   Fr= 1--    8590.822              14441.680               7631.692
 RC180  Fr= 1--      -0.518                 -0.069                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.01    -0.04  -0.02   0.02    -0.05  -0.03   0.03
     2   6    -0.02  -0.01  -0.03     0.05   0.02  -0.05     0.06   0.02  -0.05
     3   6    -0.06  -0.02  -0.01    -0.06   0.03   0.01    -0.06   0.04   0.02
     4   6     0.01   0.03   0.02     0.00  -0.02  -0.01    -0.00  -0.03  -0.02
     5   6     0.05  -0.04  -0.05    -0.05  -0.03   0.05    -0.07  -0.03   0.07
     6   6    -0.01  -0.02  -0.01     0.03   0.04   0.00     0.04   0.05   0.01
     7   6    -0.09  -0.08  -0.02     0.03  -0.04  -0.06     0.06  -0.03  -0.07
     8   8     0.00  -0.01  -0.00     0.03  -0.00   0.00     0.03  -0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.05  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.00   0.00
    11   6    -0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00
    12   6    -0.09   0.07   0.00    -0.07  -0.03  -0.00    -0.07  -0.04  -0.00
    13   9     0.02  -0.01   0.02     0.01  -0.00   0.01     0.01   0.00   0.00
    14   6    -0.03   0.01   0.02     0.03   0.02  -0.03     0.03   0.02  -0.04
    15   6     0.02   0.03   0.03    -0.01   0.01   0.03    -0.02   0.00   0.03
    16   6     0.05   0.03   0.01    -0.01   0.03   0.02    -0.02   0.03   0.02
    17   8    -0.00   0.01  -0.00    -0.03   0.01   0.00     0.03  -0.00  -0.00
    18   6    -0.01  -0.03   0.02     0.00   0.03  -0.01    -0.00  -0.02   0.01
    19   6    -0.05   0.04  -0.05     0.07   0.04   0.07    -0.06  -0.02  -0.06
    20   6     0.09   0.08  -0.02    -0.04   0.04  -0.07     0.05  -0.02   0.06
    21   6     0.02   0.01  -0.03    -0.06  -0.02  -0.06     0.05   0.02   0.04
    22   6     0.06   0.02  -0.01     0.07  -0.04   0.02    -0.05   0.03  -0.01
    23   6    -0.01  -0.02   0.01     0.05   0.03   0.03    -0.04  -0.02  -0.02
    24   6     0.01   0.02  -0.01    -0.04  -0.05   0.01     0.03   0.04  -0.01
    25   6    -0.05  -0.03   0.01     0.01  -0.04   0.03    -0.02   0.02  -0.02
    26   6    -0.02  -0.03   0.03     0.01  -0.01   0.03    -0.01   0.00  -0.02
    27   6     0.02  -0.01   0.02    -0.03  -0.02  -0.04     0.03   0.01   0.03
    28   6     0.00  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    29   6     0.09  -0.06   0.00     0.08   0.04  -0.00    -0.06  -0.03   0.00
    30   9    -0.02   0.01   0.02    -0.01   0.00   0.01     0.01   0.00  -0.00
    31   8    -0.04   0.00  -0.00    -0.03  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.01  -0.02    -0.02  -0.00  -0.01     0.01   0.00   0.01
    33   9    -0.00   0.01  -0.00    -0.02  -0.02   0.01     0.02   0.02  -0.00
    34   9     0.00  -0.01  -0.00     0.02   0.02   0.00     0.02   0.02   0.00
    35   9     0.02  -0.01  -0.02     0.01   0.00  -0.01     0.01   0.00  -0.01
    36   1     0.03  -0.01   0.08    -0.05  -0.03  -0.16     0.04   0.02   0.14
    37   1     0.07  -0.09   0.09    -0.09   0.21  -0.11     0.09  -0.18   0.11
    38   1    -0.02   0.08  -0.00     0.08  -0.32  -0.07    -0.07   0.27   0.06
    39   1     0.03   0.03   0.06    -0.07   0.06  -0.01     0.06  -0.04   0.02
    40   1    -0.39  -0.30   0.16     0.17   0.01   0.38    -0.20  -0.06  -0.26
    41   1    -0.04  -0.00  -0.20    -0.03   0.08  -0.01     0.02  -0.07  -0.03
    42   1     0.11   0.03   0.09     0.02   0.07   0.16     0.01  -0.05  -0.11
    43   1     0.09   0.09   0.00     0.01   0.03  -0.08     0.01  -0.00   0.06
    44   1    -0.01   0.05  -0.01     0.08   0.08  -0.03    -0.07  -0.06   0.02
    45   1    -0.04  -0.00  -0.05    -0.01   0.03  -0.07    -0.00  -0.03   0.05
    46   1    -0.15  -0.05  -0.01    -0.09  -0.05  -0.02     0.05   0.03   0.02
    47   1    -0.03  -0.06  -0.01     0.09   0.02   0.08    -0.07  -0.02  -0.06
    48   1    -0.01   0.02  -0.03     0.03  -0.10   0.13    -0.03   0.08  -0.10
    49   1    -0.01  -0.11   0.04     0.00   0.18  -0.06    -0.00  -0.15   0.05
    50   1    -0.11  -0.03   0.10    -0.02  -0.05   0.13     0.00  -0.06   0.14
    51   1     0.05   0.00  -0.21     0.03  -0.06  -0.02     0.02  -0.08   0.03
    52   1    -0.09  -0.09   0.00    -0.01  -0.03  -0.06     0.01  -0.01  -0.08
    53   1     0.15   0.05  -0.01     0.08   0.04  -0.02     0.06   0.04  -0.02
    54   1     0.04   0.00  -0.05     0.01  -0.02  -0.06    -0.00  -0.03  -0.06
    55   1     0.01  -0.05  -0.01    -0.07  -0.07  -0.03    -0.08  -0.08  -0.03
    56   1     0.02  -0.07  -0.00    -0.06   0.26  -0.06    -0.08   0.33  -0.07
    57   1    -0.03  -0.03   0.07     0.06  -0.05  -0.00     0.08  -0.05  -0.02
    58   1    -0.07   0.09   0.09     0.07  -0.16  -0.09     0.10  -0.22  -0.13
    59   1    -0.03   0.01   0.08     0.04   0.02  -0.13     0.05   0.03  -0.17
    60   1     0.39   0.31   0.17    -0.13   0.00   0.32    -0.23  -0.06   0.33
    61   1     0.01  -0.02  -0.03    -0.03   0.08   0.10    -0.03   0.09   0.13
    62   1     0.03   0.06  -0.01    -0.07  -0.01   0.06    -0.09  -0.02   0.08
    63   1     0.01   0.11   0.04    -0.00  -0.14  -0.05    -0.00  -0.19  -0.06
                    112                    113                    114
                      A                      A                      A
 Frequencies --   1228.5308              1229.0682              1249.4221
 Red. masses --      2.3366                 2.3777                 2.8281
 Frc consts  --      2.0778                 2.1162                 2.6012
 IR Inten    --    133.1237                 3.5045               170.2513
 RamAct Fr= 1--      4.2519               570.6770                99.4074
  Dep-P Fr= 1--      0.6487                 0.3080                 0.7443
  Dep-U Fr= 1--      0.7869                 0.4709                 0.8534
 Alpha2 Fr= 1--      0.0077                 5.7145                 0.0097
 Beta2  Fr= 1--      0.5577                44.7890                14.1387
 AlphaG Fr= 1--     12.1341             20446.3150                -1.0287
 Gamma2 Fr= 1--   2040.5664            171672.0749             23867.2168
 Delta2 Fr= 1--     26.3931               -83.3390               311.6842
 Raman1 Fr= 1--      17.007               2282.708                397.629
 ROA1   Fr= 1--  196738.954           16477852.339            2301226.709
 CID1   Fr= 1--   11567.796               7218.554               5787.365
 Raman2 Fr= 1--       6.692                537.468                169.665
 ROA2   Fr= 1--   48762.449            4120796.509             570319.730
 CID2   Fr= 1--    7286.719               7667.057               3361.454
 Raman3 Fr= 1--      13.384               1074.936                339.329
 ROA3   Fr= 1--  196738.954           16477852.339            2301226.709
 CID3   Fr= 1--   14699.645              15329.153               6781.694
 RC180  Fr= 1--       0.574                 -0.058                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00    -0.02  -0.01   0.00     0.02  -0.03  -0.03
     2   6     0.05  -0.05   0.03     0.05  -0.05   0.02     0.02   0.01   0.03
     3   6    -0.11   0.03  -0.00    -0.12   0.04   0.00    -0.10  -0.04  -0.01
     4   6     0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.02  -0.01
     5   6    -0.01  -0.03  -0.01    -0.01  -0.05  -0.02    -0.02   0.09   0.04
     6   6     0.04  -0.01  -0.01     0.05  -0.01  -0.02    -0.05   0.03   0.03
     7   6    -0.01   0.14   0.00    -0.03   0.14   0.00     0.06  -0.02   0.09
     8   8     0.02  -0.01   0.00     0.02  -0.01   0.00     0.02  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.05   0.01   0.00     0.05   0.01   0.00     0.05   0.01   0.00
    11   6    -0.02  -0.01  -0.00    -0.02  -0.01   0.00    -0.02  -0.03  -0.00
    12   6    -0.06   0.00  -0.01    -0.06  -0.01  -0.01    -0.02   0.15   0.02
    13   9     0.01  -0.00   0.01     0.01  -0.00   0.01     0.01  -0.02   0.01
    14   6     0.01   0.01   0.01     0.01   0.01   0.01     0.01  -0.03  -0.02
    15   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.02   0.01  -0.04
    16   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.03   0.00  -0.03
    17   8     0.02  -0.01  -0.00    -0.02   0.01   0.00     0.02  -0.00  -0.00
    18   6     0.00  -0.01   0.01    -0.01   0.01  -0.00    -0.01  -0.02   0.01
    19   6    -0.01  -0.04   0.01     0.01   0.05  -0.02    -0.02   0.09  -0.04
    20   6    -0.01   0.15  -0.00     0.03  -0.14   0.00     0.06  -0.02  -0.09
    21   6     0.05  -0.05  -0.03    -0.05   0.05   0.02     0.02   0.01  -0.03
    22   6    -0.12   0.04   0.00     0.11  -0.04   0.00    -0.10  -0.04   0.01
    23   6    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.02  -0.03   0.03
    24   6     0.04  -0.01   0.01    -0.05   0.01  -0.02    -0.05   0.03  -0.03
    25   6     0.01  -0.06   0.01    -0.01   0.05  -0.00    -0.03   0.00   0.03
    26   6     0.01  -0.06   0.01    -0.01   0.06  -0.00    -0.02   0.01   0.04
    27   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01  -0.03   0.02
    28   6    -0.02  -0.01   0.00     0.02   0.00   0.00    -0.02  -0.03   0.00
    29   6    -0.06   0.00   0.01     0.06   0.01  -0.01    -0.02   0.15  -0.02
    30   9     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.02  -0.01
    31   8     0.05   0.01  -0.00    -0.05  -0.00   0.00     0.05   0.01  -0.00
    32   9     0.01  -0.00   0.01    -0.01   0.00  -0.01     0.01  -0.01   0.01
    33   9     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.02  -0.04   0.01
    34   9     0.01   0.01   0.00     0.01   0.01   0.00    -0.02  -0.04  -0.01
    35   9     0.01  -0.00  -0.01     0.01  -0.00  -0.01     0.01  -0.01  -0.01
    36   1    -0.17   0.21  -0.16     0.17  -0.21   0.17     0.14  -0.16   0.18
    37   1    -0.04  -0.02  -0.07     0.05   0.01   0.09     0.20  -0.13   0.27
    38   1    -0.04   0.17   0.06     0.04  -0.16  -0.06     0.03  -0.02   0.03
    39   1     0.07  -0.14  -0.04    -0.06   0.14   0.05     0.01   0.15   0.14
    40   1     0.13  -0.09   0.31    -0.13   0.07  -0.26     0.17   0.05   0.16
    41   1    -0.06   0.11  -0.08     0.05  -0.11   0.06    -0.01  -0.04  -0.09
    42   1     0.01   0.07   0.17     0.01  -0.07  -0.16     0.11   0.01   0.05
    43   1     0.00   0.04  -0.17     0.01  -0.03   0.17     0.08   0.06   0.09
    44   1    -0.08   0.11  -0.02     0.08  -0.11   0.02     0.12   0.02  -0.02
    45   1     0.12   0.09  -0.06    -0.13  -0.09   0.06    -0.12  -0.04  -0.07
    46   1    -0.19  -0.01   0.06     0.17   0.00  -0.06    -0.06  -0.09  -0.08
    47   1    -0.01  -0.02  -0.00     0.00   0.02   0.00     0.00  -0.06   0.03
    48   1    -0.02   0.05  -0.02     0.02  -0.06   0.02     0.02  -0.04   0.02
    49   1    -0.02   0.02   0.00     0.02  -0.03   0.00     0.01  -0.09   0.03
    50   1     0.01   0.07  -0.16    -0.01   0.07  -0.16     0.11   0.01  -0.05
    51   1    -0.06   0.11   0.08    -0.06   0.12   0.06    -0.01  -0.04   0.09
    52   1     0.00   0.04   0.16    -0.01   0.03   0.18     0.08   0.06  -0.09
    53   1    -0.18  -0.01  -0.05    -0.18  -0.00  -0.06    -0.06  -0.09   0.08
    54   1     0.11   0.08   0.06     0.13   0.09   0.06    -0.12  -0.04   0.07
    55   1    -0.08   0.11   0.02    -0.08   0.11   0.02     0.12   0.02   0.02
    56   1    -0.04   0.16  -0.06    -0.04   0.17  -0.06     0.03  -0.02  -0.03
    57   1     0.07  -0.13   0.04     0.07  -0.14   0.05     0.01   0.15  -0.14
    58   1    -0.04  -0.02   0.07    -0.06  -0.01   0.09     0.20  -0.13  -0.27
    59   1    -0.16   0.20   0.15    -0.18   0.22   0.17     0.14  -0.16  -0.18
    60   1     0.12  -0.09  -0.30     0.14  -0.07  -0.27     0.17   0.05  -0.16
    61   1    -0.02   0.05   0.02    -0.02   0.06   0.02     0.02  -0.04  -0.02
    62   1    -0.01  -0.02   0.00    -0.01  -0.02   0.00     0.00  -0.06  -0.03
    63   1    -0.02   0.02  -0.00    -0.02   0.03   0.00     0.01  -0.09  -0.03
                    115                    116                    117
                      A                      A                      A
 Frequencies --   1251.7358              1254.6144              1255.7906
 Red. masses --      2.8963                 2.6298                 2.8765
 Frc consts  --      2.6738                 2.4389                 2.6727
 IR Inten    --      7.5866                 2.6450               207.5639
 RamAct Fr= 1--   1296.0014                81.2127                13.5615
  Dep-P Fr= 1--      0.1338                 0.7084                 0.7499
  Dep-U Fr= 1--      0.2360                 0.8293                 0.8571
 Alpha2 Fr= 1--     20.8711                 0.0586                 0.0000
 Beta2  Fr= 1--     50.9716                11.2250                 1.9372
 AlphaG Fr= 1--  41863.1816               521.4185                 0.0278
 Gamma2 Fr= 1-- 114204.8234             17048.1945              1310.1187
 Delta2 Fr= 1--  -3102.8110               154.3121                20.9279
 Raman1 Fr= 1--    5184.006                324.851                 54.246
 ROA1   Fr= 1--10864373.097            1641564.662             126441.089
 CID1   Fr= 1--    2095.749               5053.286               2330.881
 Raman2 Fr= 1--     611.659                134.700                 23.247
 ROA2   Fr= 1-- 2765738.249             407922.173              31275.426
 CID2   Fr= 1--    4521.699               3028.371               1345.379
 Raman3 Fr= 1--    1223.318                269.400                 46.493
 ROA3   Fr= 1--10864373.097            1641564.662             126441.089
 CID3   Fr= 1--    8881.070               6093.400               2719.567
 RC180  Fr= 1--      -0.528                  0.659                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04  -0.02     0.00  -0.03   0.03    -0.01  -0.05   0.03
     2   6     0.02   0.01   0.02     0.07   0.02  -0.03     0.08   0.03  -0.04
     3   6    -0.11  -0.03  -0.01    -0.03   0.07   0.01    -0.04   0.07   0.01
     4   6    -0.01  -0.02  -0.01     0.00  -0.03   0.00    -0.00  -0.03   0.00
     5   6    -0.01   0.08   0.03     0.01  -0.06  -0.04     0.03  -0.07  -0.04
     6   6    -0.05   0.04   0.03    -0.04   0.01  -0.03    -0.04   0.02  -0.03
     7   6     0.04  -0.01   0.11    -0.06  -0.02   0.13    -0.07  -0.02   0.16
     8   8     0.02  -0.00   0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.06   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.03  -0.00    -0.01   0.02   0.00    -0.01   0.02   0.00
    12   6    -0.03   0.15   0.03    -0.03  -0.13  -0.01    -0.04  -0.12  -0.01
    13   9     0.01  -0.02   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    14   6     0.01  -0.02  -0.01     0.00   0.02   0.01    -0.00   0.02   0.01
    15   6    -0.01   0.01  -0.05     0.02   0.00  -0.05     0.02  -0.00  -0.06
    16   6    -0.03  -0.00  -0.03     0.01   0.01  -0.03     0.01   0.01  -0.04
    17   8    -0.02   0.00   0.00    -0.01   0.00  -0.00     0.02  -0.00   0.00
    18   6     0.01   0.02  -0.01    -0.00   0.03   0.00    -0.00  -0.03  -0.00
    19   6     0.01  -0.08   0.03    -0.01   0.07  -0.04     0.03  -0.07   0.04
    20   6    -0.04   0.01   0.11     0.07   0.02   0.13    -0.07  -0.02  -0.16
    21   6    -0.02  -0.01   0.02    -0.07  -0.02  -0.03     0.07   0.02   0.04
    22   6     0.11   0.03  -0.01     0.03  -0.07   0.01    -0.04   0.07  -0.01
    23   6    -0.02   0.04  -0.02    -0.00   0.03   0.03    -0.01  -0.05  -0.03
    24   6     0.05  -0.04   0.03     0.04  -0.01  -0.03    -0.03   0.02   0.02
    25   6     0.03   0.00  -0.03    -0.01  -0.01  -0.03     0.01   0.01   0.04
    26   6     0.01  -0.01  -0.05    -0.02  -0.00  -0.05     0.02  -0.00   0.06
    27   6    -0.01   0.02  -0.01    -0.00  -0.02   0.01    -0.00   0.02  -0.01
    28   6     0.02   0.03  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
    29   6     0.03  -0.15   0.03     0.03   0.13  -0.02    -0.04  -0.11   0.01
    30   9    -0.01   0.02   0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    31   8    -0.06  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   9    -0.02   0.01  -0.02     0.00  -0.01   0.00     0.00   0.01  -0.00
    33   9     0.02   0.04  -0.01    -0.03  -0.04   0.01     0.02   0.03  -0.01
    34   9    -0.02  -0.04  -0.01     0.03   0.04   0.01     0.03   0.04   0.01
    35   9     0.02  -0.01  -0.02    -0.00   0.01   0.00     0.00   0.01   0.00
    36   1    -0.11   0.12  -0.14    -0.10   0.13  -0.06     0.06  -0.07   0.02
    37   1    -0.22   0.16  -0.30     0.04  -0.11   0.00    -0.00   0.05   0.05
    38   1    -0.01  -0.05  -0.06    -0.02   0.17   0.09    -0.00  -0.08  -0.06
    39   1    -0.03  -0.14  -0.15     0.06  -0.43  -0.24    -0.04   0.41   0.25
    40   1    -0.17  -0.05  -0.13     0.03   0.00   0.12    -0.05  -0.01  -0.15
    41   1     0.01   0.03   0.07    -0.01  -0.02  -0.07     0.01   0.02   0.07
    42   1    -0.10  -0.02  -0.06    -0.02  -0.03  -0.07     0.03   0.04   0.08
    43   1    -0.08  -0.06  -0.08    -0.03  -0.01  -0.06     0.04   0.02   0.07
    44   1    -0.14  -0.04   0.03    -0.17  -0.10   0.05     0.19   0.11  -0.06
    45   1     0.12   0.03   0.08     0.04  -0.03   0.11    -0.05   0.03  -0.12
    46   1     0.07   0.09   0.08     0.07   0.08   0.06    -0.09  -0.09  -0.07
    47   1    -0.01   0.05  -0.03     0.01  -0.03   0.03    -0.00   0.04  -0.03
    48   1    -0.01   0.03  -0.02     0.03  -0.06   0.02    -0.03   0.06  -0.02
    49   1    -0.01   0.07  -0.02     0.03  -0.06   0.01    -0.02   0.07  -0.01
    50   1     0.10   0.02  -0.06     0.02   0.03  -0.06     0.03   0.04  -0.09
    51   1    -0.01  -0.03   0.07     0.01   0.02  -0.07     0.01   0.03  -0.08
    52   1     0.08   0.06  -0.08     0.03   0.01  -0.06     0.04   0.02  -0.07
    53   1    -0.07  -0.09   0.08    -0.07  -0.08   0.06    -0.09  -0.10   0.07
    54   1    -0.12  -0.03   0.08    -0.03   0.03   0.10    -0.05   0.03   0.13
    55   1     0.13   0.04   0.03     0.16   0.10   0.05     0.20   0.12   0.06
    56   1     0.01   0.05  -0.06     0.02  -0.16   0.09    -0.00  -0.08   0.06
    57   1     0.03   0.13  -0.15    -0.06   0.42  -0.24    -0.05   0.42  -0.26
    58   1     0.22  -0.16  -0.30    -0.04   0.11   0.00    -0.00   0.06  -0.05
    59   1     0.11  -0.12  -0.14     0.10  -0.12  -0.06     0.07  -0.08  -0.02
    60   1     0.17   0.05  -0.13    -0.03  -0.00   0.12    -0.05  -0.01   0.15
    61   1     0.01  -0.03  -0.02    -0.03   0.06   0.02    -0.03   0.06   0.02
    62   1     0.01  -0.05  -0.03    -0.01   0.03   0.03    -0.00   0.04   0.03
    63   1     0.01  -0.07  -0.02    -0.03   0.05   0.01    -0.02   0.07   0.01
                    118                    119                    120
                      A                      A                      A
 Frequencies --   1260.7252              1261.0237              1295.6518
 Red. masses --      1.5058                 1.5988                 2.0889
 Frc consts  --      1.4101                 1.4980                 2.0661
 IR Inten    --    110.5617                 4.5775                10.0805
 RamAct Fr= 1--      7.5662               350.9575               190.6135
  Dep-P Fr= 1--      0.5594                 0.2268                 0.7418
  Dep-U Fr= 1--      0.7174                 0.3697                 0.8518
 Alpha2 Fr= 1--      0.0274                 4.4349                 0.0266
 Beta2  Fr= 1--      0.9047                21.6269                27.0593
 AlphaG Fr= 1--     70.9965             11563.8672              -469.4756
 Gamma2 Fr= 1--    289.0698             65193.2025             30409.6639
 Delta2 Fr= 1--    -17.9015              -593.5719               609.6026
 Raman1 Fr= 1--      30.265               1403.830                762.454
 ROA1   Fr= 1--   27177.851            6239553.138            2938835.015
 CID1   Fr= 1--     897.997               4444.664               3854.443
 Raman2 Fr= 1--      10.857                259.522                324.712
 ROA2   Fr= 1--    7080.886            1569385.436             724955.112
 CID2   Fr= 1--     652.216               6047.204               2232.610
 Raman3 Fr= 1--      21.713                519.045                649.424
 ROA3   Fr= 1--   27177.851            6239553.138            2938835.015
 CID3   Fr= 1--    1251.668              12021.218               4525.296
 RC180  Fr= 1--       0.435                 -0.261                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.00    -0.04  -0.03   0.01    -0.00  -0.03   0.06
     2   6    -0.02   0.01  -0.04    -0.01   0.01  -0.06     0.02   0.03  -0.04
     3   6     0.03  -0.03   0.00     0.05  -0.03   0.00     0.00  -0.04  -0.00
     4   6     0.00   0.02   0.00     0.00   0.02   0.01     0.02   0.06   0.01
     5   6     0.06  -0.00  -0.01     0.08  -0.02  -0.03    -0.06  -0.03  -0.03
     6   6     0.02   0.01   0.01     0.02   0.01   0.00     0.05  -0.03  -0.06
     7   6    -0.02  -0.01   0.06    -0.04  -0.01   0.08     0.06   0.01   0.03
     8   8    -0.02   0.00  -0.00    -0.02   0.00  -0.00    -0.00  -0.01  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8    -0.01  -0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.01   0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.00  -0.00     0.03  -0.06  -0.01
    12   6     0.02   0.04   0.01     0.02   0.01   0.01    -0.00   0.10   0.02
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    14   6    -0.02  -0.00   0.01    -0.03   0.00   0.01     0.02   0.00   0.01
    15   6     0.00   0.01  -0.02     0.01   0.01  -0.03    -0.01  -0.01  -0.01
    16   6     0.00  -0.00  -0.01     0.01   0.00  -0.02    -0.02   0.00  -0.01
    17   8    -0.02   0.00   0.00     0.02  -0.00  -0.00     0.00   0.01  -0.00
    18   6     0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.02  -0.06   0.01
    19   6     0.07  -0.01   0.02    -0.07   0.02  -0.02     0.06   0.03  -0.03
    20   6    -0.03  -0.01  -0.07     0.03   0.01   0.07    -0.06  -0.01   0.03
    21   6    -0.02   0.01   0.05     0.01  -0.01  -0.05    -0.02  -0.03  -0.04
    22   6     0.04  -0.03  -0.00    -0.04   0.02   0.00    -0.00   0.04  -0.00
    23   6    -0.04  -0.03  -0.00     0.04   0.03   0.01     0.00   0.03   0.06
    24   6     0.02   0.02  -0.01    -0.02  -0.01   0.00    -0.05   0.03  -0.06
    25   6     0.01  -0.00   0.02    -0.01  -0.00  -0.02     0.02  -0.00  -0.01
    26   6     0.00   0.01   0.02    -0.01  -0.01  -0.02     0.01   0.01  -0.01
    27   6    -0.03  -0.00  -0.01     0.02  -0.00   0.01    -0.02  -0.00   0.01
    28   6     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    29   6     0.02   0.04  -0.01    -0.02  -0.01   0.01     0.00  -0.10   0.02
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   8    -0.01  -0.00   0.00     0.02   0.00  -0.00     0.01  -0.01   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    33   9    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    34   9    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.02  -0.01
    35   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.01  -0.01
    36   1    -0.20   0.24  -0.23     0.17  -0.21   0.21     0.06  -0.08   0.06
    37   1     0.17  -0.24   0.22    -0.13   0.19  -0.17     0.28  -0.25   0.35
    38   1    -0.08   0.34   0.10     0.07  -0.28  -0.07     0.03  -0.10  -0.06
    39   1     0.07  -0.20  -0.06    -0.06   0.14   0.03     0.05  -0.24  -0.09
    40   1    -0.12   0.00  -0.17     0.13   0.01   0.17     0.17   0.04   0.16
    41   1    -0.00   0.02   0.03    -0.00  -0.02  -0.04     0.00   0.03   0.06
    42   1     0.01   0.02   0.04    -0.01  -0.02  -0.04    -0.06   0.01   0.01
    43   1     0.02   0.01   0.02    -0.02  -0.01  -0.02    -0.04  -0.04  -0.04
    44   1     0.09   0.04  -0.02    -0.09  -0.04   0.02    -0.01  -0.00   0.00
    45   1    -0.04   0.00  -0.04     0.03  -0.01   0.05     0.03   0.01   0.02
    46   1    -0.02  -0.04  -0.04     0.02   0.04   0.03     0.04   0.03   0.02
    47   1     0.04   0.06   0.01    -0.03  -0.06  -0.01     0.02   0.04   0.02
    48   1     0.02  -0.05   0.02    -0.01   0.04  -0.01     0.04  -0.08  -0.01
    49   1     0.05   0.07  -0.04    -0.04  -0.07   0.04     0.08  -0.05  -0.02
    50   1     0.01   0.02  -0.04     0.01   0.02  -0.05     0.06  -0.01   0.01
    51   1    -0.00   0.02  -0.02     0.00   0.02  -0.04    -0.00  -0.03   0.06
    52   1     0.01   0.01  -0.01     0.02   0.01  -0.02     0.04   0.04  -0.04
    53   1    -0.01  -0.03   0.03    -0.02  -0.04   0.04    -0.04  -0.03   0.02
    54   1    -0.03   0.00   0.04    -0.04   0.01   0.05    -0.03  -0.01   0.02
    55   1     0.07   0.03   0.02     0.10   0.05   0.03     0.01   0.00   0.00
    56   1    -0.07   0.29  -0.08    -0.08   0.33  -0.09    -0.03   0.10  -0.06
    57   1     0.07  -0.18   0.05     0.07  -0.17   0.04    -0.05   0.24  -0.09
    58   1     0.15  -0.21  -0.19     0.16  -0.23  -0.20    -0.28   0.25   0.35
    59   1    -0.17   0.21   0.19    -0.21   0.25   0.24    -0.06   0.08   0.06
    60   1    -0.10   0.00   0.14    -0.15  -0.01   0.20    -0.17  -0.04   0.16
    61   1     0.01  -0.04  -0.02     0.01  -0.04  -0.02    -0.04   0.09  -0.01
    62   1     0.03   0.05  -0.01     0.04   0.07  -0.01    -0.02  -0.04   0.02
    63   1     0.04   0.06   0.03     0.04   0.08   0.04    -0.08   0.05  -0.02
                    121                    122                    123
                      A                      A                      A
 Frequencies --   1296.7547              1315.6753              1316.4164
 Red. masses --      2.1166                 2.1902                 2.1804
 Frc consts  --      2.0970                 2.2337                 2.2262
 IR Inten    --    251.1811                 0.2477                50.2295
 RamAct Fr= 1--     28.8309                51.8469                16.6008
  Dep-P Fr= 1--      0.7375                 0.7069                 0.7487
  Dep-U Fr= 1--      0.8489                 0.8283                 0.8563
 Alpha2 Fr= 1--      0.0061                 0.0388                 0.0004
 Beta2  Fr= 1--      4.0793                 7.1574                 2.3691
 AlphaG Fr= 1--     -1.5998              -112.4085                -0.0643
 Gamma2 Fr= 1--  10834.1401               711.0727              2792.8696
 Delta2 Fr= 1--    142.3800                -1.2327                39.2353
 Raman1 Fr= 1--     115.323                207.388                 66.403
 ROA1   Fr= 1-- 1044633.612              68223.536             269371.010
 CID1   Fr= 1--    9058.295                328.966               4056.602
 Raman2 Fr= 1--      48.952                 85.889                 28.429
 ROA2   Fr= 1--  258880.324              17075.607              66714.988
 CID2   Fr= 1--    5288.495                198.811               2346.708
 Raman3 Fr= 1--      97.903                171.777                 56.858
 ROA3   Fr= 1-- 1044633.612              68223.536             269371.010
 CID3   Fr= 1--   10670.065                397.163               4737.578
 RC180  Fr= 1--       0.698                  0.657                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03  -0.06    -0.01  -0.04   0.01     0.01   0.05  -0.01
     2   6    -0.01  -0.03   0.04     0.09   0.06   0.05    -0.09  -0.07  -0.05
     3   6    -0.01   0.04   0.00    -0.01  -0.00   0.00     0.01   0.01  -0.00
     4   6    -0.02  -0.06  -0.01    -0.01   0.01   0.00     0.01  -0.01  -0.00
     5   6     0.07   0.03   0.03     0.05   0.01   0.04    -0.05  -0.02  -0.04
     6   6    -0.05   0.03   0.06    -0.01   0.00  -0.01     0.01   0.00   0.02
     7   6    -0.06  -0.01  -0.04    -0.12  -0.02  -0.08     0.11   0.03   0.08
     8   8     0.01   0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    11   6    -0.02   0.06   0.01     0.02  -0.05  -0.01    -0.02   0.05   0.01
    12   6    -0.00  -0.10  -0.02     0.00   0.06   0.01    -0.01  -0.07  -0.01
    13   9    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00  -0.02    -0.02   0.00  -0.02     0.02  -0.00   0.02
    15   6     0.01   0.00   0.01     0.03  -0.00   0.02    -0.03   0.00  -0.02
    16   6     0.02  -0.00   0.01     0.04   0.01   0.03    -0.04  -0.01  -0.03
    17   8     0.01   0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.06   0.01     0.01  -0.01   0.00     0.01  -0.01   0.00
    19   6     0.07   0.03  -0.03    -0.05  -0.01   0.04    -0.05  -0.02   0.04
    20   6    -0.06  -0.01   0.04     0.12   0.02  -0.08     0.11   0.03  -0.08
    21   6    -0.01  -0.03  -0.04    -0.09  -0.06   0.05    -0.09  -0.06   0.05
    22   6    -0.01   0.04  -0.00     0.01   0.00   0.00     0.01   0.01   0.00
    23   6     0.00   0.03   0.06     0.01   0.04   0.01     0.01   0.04   0.01
    24   6    -0.05   0.03  -0.06     0.01  -0.00  -0.01     0.01   0.00  -0.02
    25   6     0.02  -0.00  -0.01    -0.04  -0.01   0.03    -0.03  -0.01   0.03
    26   6     0.01   0.00  -0.01    -0.03   0.00   0.02    -0.02   0.00   0.02
    27   6    -0.02  -0.00   0.02     0.02  -0.00  -0.02     0.02  -0.00  -0.02
    28   6    -0.02   0.06  -0.01    -0.02   0.05  -0.01    -0.02   0.05  -0.01
    29   6    -0.00  -0.10   0.02    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    30   9    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.01  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.01   0.00
    32   9    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00     0.01   0.02  -0.00
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00     0.01   0.02   0.00
    35   9    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.07  -0.08   0.07     0.02  -0.02   0.08     0.03  -0.03   0.09
    37   1     0.28  -0.25   0.36    -0.03   0.02  -0.07    -0.02   0.00  -0.05
    38   1     0.03  -0.11  -0.07     0.00  -0.00   0.06     0.01  -0.02   0.05
    39   1     0.05  -0.22  -0.08     0.01  -0.26  -0.19     0.01  -0.26  -0.19
    40   1     0.16   0.03   0.17     0.33   0.28  -0.25     0.32   0.27  -0.24
    41   1     0.00   0.04   0.06    -0.02  -0.03  -0.13    -0.02  -0.03  -0.13
    42   1    -0.07   0.01   0.01     0.12  -0.02   0.01     0.11  -0.02   0.01
    43   1    -0.04  -0.04  -0.04     0.08   0.09   0.01     0.07   0.09   0.01
    44   1    -0.01   0.00   0.00     0.03  -0.01  -0.00     0.02  -0.00  -0.00
    45   1     0.04   0.01   0.02    -0.09  -0.02  -0.05    -0.08  -0.02  -0.05
    46   1     0.04   0.03   0.02    -0.04  -0.07  -0.06    -0.04  -0.06  -0.06
    47   1     0.01   0.04   0.01    -0.00  -0.05   0.00    -0.00  -0.04  -0.00
    48   1     0.04  -0.09  -0.01    -0.04   0.09   0.03    -0.04   0.08   0.02
    49   1     0.08  -0.05  -0.02    -0.08   0.04   0.02    -0.08   0.04   0.02
    50   1    -0.07   0.01  -0.01    -0.12   0.02   0.01     0.11  -0.02  -0.01
    51   1     0.00   0.04  -0.06     0.02   0.03  -0.13    -0.02  -0.03   0.13
    52   1    -0.04  -0.04   0.04    -0.07  -0.09   0.01     0.07   0.09  -0.01
    53   1     0.04   0.03  -0.02     0.04   0.06  -0.06    -0.04  -0.06   0.06
    54   1     0.04   0.01  -0.02     0.08   0.02  -0.05    -0.08  -0.02   0.06
    55   1    -0.01   0.00  -0.00    -0.03   0.01  -0.00     0.03  -0.00   0.00
    56   1     0.03  -0.11   0.07    -0.00   0.00   0.06     0.01  -0.02  -0.05
    57   1     0.04  -0.22   0.08    -0.01   0.25  -0.18     0.01  -0.27   0.19
    58   1     0.28  -0.25  -0.36     0.03  -0.02  -0.07    -0.02   0.00   0.05
    59   1     0.07  -0.08  -0.07    -0.02   0.02   0.08     0.03  -0.03  -0.09
    60   1     0.16   0.03  -0.17    -0.32  -0.28  -0.25     0.33   0.28   0.25
    61   1     0.04  -0.09   0.01     0.04  -0.08   0.03    -0.04   0.08  -0.02
    62   1     0.02   0.04  -0.01     0.00   0.05   0.00    -0.00  -0.04   0.00
    63   1     0.08  -0.05   0.02     0.08  -0.04   0.02    -0.08   0.04  -0.02
                    124                    125                    126
                      A                      A                      A
 Frequencies --   1330.2987              1330.3971              1356.0026
 Red. masses --      1.5815                 1.5829                 2.9857
 Frc consts  --      1.6490                 1.6507                 3.2345
 IR Inten    --      3.9791                 9.5510                 0.1295
 RamAct Fr= 1--     65.4866                11.8212              1040.1255
  Dep-P Fr= 1--      0.4364                 0.4457                 0.4787
  Dep-U Fr= 1--      0.6077                 0.6166                 0.6475
 Alpha2 Fr= 1--      0.4236                 0.0737                 5.6546
 Beta2  Fr= 1--      6.6323                 1.2149               112.2384
 AlphaG Fr= 1--   1906.5354               324.0982             -4159.3843
 Gamma2 Fr= 1--  19187.5418              2864.5461             28977.6919
 Delta2 Fr= 1--    166.4706                22.2449               905.8948
 Raman1 Fr= 1--     261.947                 47.285               4160.502
 ROA1   Fr= 1-- 1847331.074             275708.259            2810847.061
 CID1   Fr= 1--    7052.321               5830.806                675.603
 Raman2 Fr= 1--      79.587                 14.578               1346.861
 ROA2   Fr= 1--  459169.239              68571.147             688217.448
 CID2   Fr= 1--    5769.369               4703.626                510.979
 Raman3 Fr= 1--     159.175                 29.157               2693.721
 ROA3   Fr= 1-- 1847331.074             275708.259            2810847.061
 CID3   Fr= 1--   11605.671               9456.081               1043.481
 RC180  Fr= 1--       0.215                  0.233                  0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.04  -0.12   0.05    -0.02   0.01   0.01
     2   6     0.04  -0.01  -0.02    -0.10   0.02   0.05     0.04  -0.01  -0.02
     3   6    -0.02   0.00   0.00     0.04  -0.01  -0.00    -0.04   0.01   0.00
     4   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.01  -0.11  -0.02
     5   6    -0.00  -0.00  -0.01     0.00   0.01   0.02     0.01   0.21   0.04
     6   6    -0.01  -0.00   0.01     0.01   0.01  -0.02     0.04  -0.08  -0.06
     7   6    -0.01   0.01   0.01     0.02  -0.02  -0.03     0.00  -0.06   0.01
     8   8     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.02   0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.05  -0.00  -0.00
    11   6     0.00  -0.02  -0.00    -0.01   0.06   0.01    -0.07   0.05   0.01
    12   6    -0.00   0.02   0.00     0.00  -0.05  -0.01     0.01  -0.04  -0.01
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.04   0.00
    15   6     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.02   0.02  -0.01
    16   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01   0.02  -0.01
    17   8    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.02   0.00
    18   6    -0.01  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.11  -0.02
    19   6     0.00   0.01  -0.02     0.00   0.00  -0.01    -0.01  -0.20   0.04
    20   6     0.02  -0.02   0.03     0.01  -0.01   0.01    -0.00   0.06   0.01
    21   6    -0.10   0.02  -0.05    -0.04   0.01  -0.02    -0.04   0.01  -0.02
    22   6     0.04  -0.01   0.00     0.02  -0.00   0.00     0.04  -0.01   0.00
    23   6     0.04  -0.12  -0.05     0.02  -0.05  -0.02     0.02  -0.01   0.01
    24   6     0.02   0.01   0.03     0.01   0.00   0.01    -0.04   0.07  -0.06
    25   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    26   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.02  -0.02  -0.01
    27   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.04   0.00
    28   6    -0.01   0.06  -0.01    -0.00   0.02  -0.00     0.06  -0.05   0.01
    29   6     0.00  -0.05   0.01     0.00  -0.02   0.00    -0.01   0.04  -0.01
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.05   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.01   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.04   0.07  -0.03    -0.01   0.03  -0.01     0.25  -0.24   0.32
    37   1    -0.03   0.04  -0.02    -0.01   0.01  -0.01     0.12  -0.18   0.17
    38   1    -0.05   0.50   0.34    -0.02   0.21   0.14     0.01   0.05   0.05
    39   1    -0.04   0.35   0.22    -0.02   0.14   0.09    -0.01   0.00   0.00
    40   1     0.31   0.19   0.35     0.14   0.08   0.14     0.06   0.04   0.12
    41   1     0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.02   0.05  -0.01
    42   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.01    -0.03   0.03   0.05
    43   1    -0.01  -0.02   0.02    -0.00  -0.01   0.01     0.01   0.00  -0.02
    44   1    -0.02  -0.05   0.02    -0.01  -0.02   0.01    -0.09   0.04   0.01
    45   1    -0.02  -0.03   0.04    -0.01  -0.01   0.02     0.00  -0.02  -0.00
    46   1     0.03   0.02  -0.00     0.01   0.01  -0.00    -0.08   0.03   0.04
    47   1    -0.01   0.01  -0.01    -0.01   0.01  -0.01    -0.06   0.08  -0.11
    48   1     0.00  -0.01  -0.03     0.00  -0.00  -0.01    -0.06   0.12  -0.10
    49   1     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.03   0.08   0.01
    50   1     0.00   0.00  -0.01    -0.01  -0.01   0.02     0.03  -0.03   0.05
    51   1    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.02  -0.05  -0.01
    52   1     0.00   0.01   0.01    -0.01  -0.02  -0.02    -0.01  -0.00  -0.02
    53   1    -0.01  -0.01  -0.00     0.03   0.01   0.00     0.09  -0.03   0.04
    54   1     0.01   0.01   0.02    -0.02  -0.03  -0.04    -0.00   0.02  -0.00
    55   1     0.01   0.02   0.01    -0.02  -0.05  -0.02     0.09  -0.04   0.01
    56   1     0.02  -0.21   0.14    -0.05   0.50  -0.34    -0.01  -0.05   0.05
    57   1     0.02  -0.15   0.09    -0.04   0.34  -0.22     0.01  -0.00   0.00
    58   1     0.01  -0.02  -0.01    -0.03   0.04   0.02    -0.12   0.18   0.17
    59   1     0.02  -0.03  -0.02    -0.04   0.07   0.03    -0.26   0.24   0.32
    60   1    -0.13  -0.08   0.14     0.32   0.19  -0.34    -0.06  -0.04   0.13
    61   1    -0.00   0.00  -0.01     0.00  -0.01   0.03     0.06  -0.12  -0.10
    62   1     0.00  -0.01  -0.01    -0.01   0.01   0.02     0.06  -0.09  -0.11
    63   1    -0.01   0.01   0.00     0.02  -0.02  -0.00     0.03  -0.08   0.01
                    127                    128                    129
                      A                      A                      A
 Frequencies --   1356.8381              1408.5810              1408.6872
 Red. masses --      3.0367                 1.2417                 1.2427
 Frc consts  --      3.2939                 1.4515                 1.4530
 IR Inten    --     72.6819                 4.4711                 3.2950
 RamAct Fr= 1--    422.1274                 1.4989                 4.9775
  Dep-P Fr= 1--      0.7421                 0.7349                 0.5680
  Dep-U Fr= 1--      0.8520                 0.8472                 0.7245
 Alpha2 Fr= 1--      0.0566                 0.0004                 0.0171
 Beta2  Fr= 1--     59.9403                 0.2117                 0.6010
 AlphaG Fr= 1--     -6.9930                -0.3182               -23.8206
 Gamma2 Fr= 1-- 105065.6546               398.8026               284.8310
 Delta2 Fr= 1--   1333.4807                 5.3797                 5.4806
 Raman1 Fr= 1--    1688.510                  5.996                 19.910
 ROA1   Fr= 1--10128974.224              38457.201              27519.154
 CID1   Fr= 1--    5998.766               6414.151               1382.164
 Raman2 Fr= 1--     719.283                  2.540                  7.213
 ROA2   Fr= 1-- 2510907.865               9528.225               6792.099
 CID2   Fr= 1--    3490.846               3751.556                941.708
 Raman3 Fr= 1--    1438.567                  5.080                 14.425
 ROA3   Fr= 1--10128974.224              38457.201              27519.154
 CID3   Fr= 1--    7041.018               7570.893               1907.731
 RC180  Fr= 1--       0.704                  0.694                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.04  -0.01  -0.02    -0.01  -0.00   0.00     0.01   0.00  -0.00
     3   6    -0.04   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.02  -0.11  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.20   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.04  -0.08  -0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.06   0.01     0.02   0.01  -0.01    -0.01  -0.01   0.01
     8   8     0.01   0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.04  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06   0.05   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.01  -0.04  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.00  -0.04   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.02   0.02  -0.01    -0.07  -0.03  -0.01     0.06   0.02   0.01
    16   6    -0.01   0.02  -0.01    -0.02  -0.02   0.07     0.02   0.02  -0.06
    17   8     0.01   0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.12   0.02     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   6     0.01   0.21  -0.04    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    20   6     0.01  -0.06  -0.01     0.01   0.01   0.01     0.02   0.01   0.01
    21   6     0.04  -0.01   0.02    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    22   6    -0.05   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.04  -0.08   0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.01   0.02   0.01    -0.02  -0.02  -0.06    -0.02  -0.02  -0.07
    26   6    -0.02   0.02   0.01    -0.06  -0.02   0.01    -0.07  -0.03   0.01
    27   6    -0.00  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.01  -0.05   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.05  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.26   0.24  -0.32     0.02  -0.01  -0.00     0.02  -0.02  -0.00
    37   1    -0.12   0.18  -0.17    -0.02  -0.02  -0.01    -0.02  -0.03  -0.01
    38   1    -0.01  -0.05  -0.04     0.00   0.01  -0.01     0.00   0.02  -0.01
    39   1     0.02  -0.01  -0.00    -0.02  -0.00  -0.01    -0.03  -0.00  -0.02
    40   1    -0.04  -0.03  -0.13     0.01   0.00   0.00     0.01   0.00   0.01
    41   1     0.02  -0.05   0.01    -0.03   0.02   0.24    -0.04   0.02   0.28
    42   1     0.03  -0.03  -0.05     0.08   0.16   0.20     0.09   0.18   0.23
    43   1    -0.01   0.00   0.02     0.14  -0.02   0.22     0.16  -0.02   0.24
    44   1     0.09  -0.04  -0.01     0.21   0.06  -0.13     0.24   0.06  -0.14
    45   1    -0.01   0.02   0.00     0.20   0.20   0.00     0.23   0.23   0.00
    46   1     0.08  -0.03  -0.05     0.28   0.00   0.03     0.32   0.00   0.03
    47   1     0.06  -0.09   0.11    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02
    48   1     0.06  -0.12   0.10     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    49   1     0.03  -0.08  -0.01    -0.01   0.01   0.01    -0.02   0.01   0.01
    50   1     0.03  -0.03   0.05     0.09   0.18  -0.23    -0.08  -0.16   0.20
    51   1     0.02  -0.05  -0.01    -0.04   0.02  -0.28     0.03  -0.02   0.24
    52   1    -0.01   0.00  -0.02     0.16  -0.02  -0.25    -0.14   0.02   0.22
    53   1     0.08  -0.03   0.05     0.32   0.00  -0.03    -0.28  -0.00   0.03
    54   1    -0.01   0.02  -0.00     0.23   0.23  -0.00    -0.20  -0.20   0.00
    55   1     0.09  -0.04   0.01     0.24   0.06   0.14    -0.21  -0.06  -0.13
    56   1    -0.01  -0.05   0.04     0.00   0.02   0.01    -0.00  -0.01  -0.01
    57   1     0.01  -0.01   0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    58   1    -0.12   0.18   0.17    -0.02  -0.03   0.01     0.02   0.02  -0.01
    59   1    -0.25   0.24   0.31     0.02  -0.01   0.00    -0.02   0.01  -0.00
    60   1    -0.04  -0.03   0.13     0.01   0.00  -0.01    -0.01  -0.00   0.01
    61   1     0.06  -0.12  -0.10     0.01  -0.01   0.01    -0.01   0.01  -0.01
    62   1     0.06  -0.09  -0.11    -0.02  -0.01   0.02     0.02   0.01  -0.02
    63   1     0.03  -0.08   0.01    -0.02   0.01  -0.01     0.01  -0.00   0.01
                    130                    131                    132
                      A                      A                      A
 Frequencies --   1418.9216              1418.9383              1429.4292
 Red. masses --      1.2957                 1.2962                 1.2448
 Frc consts  --      1.5370                 1.5376                 1.4986
 IR Inten    --     13.1720                 9.7301                16.4723
 RamAct Fr= 1--     34.8130                50.6949                24.0062
  Dep-P Fr= 1--      0.1306                 0.1369                 0.4118
  Dep-U Fr= 1--      0.2310                 0.2409                 0.5833
 Alpha2 Fr= 1--      0.5651                 0.8099                 0.1704
 Beta2  Fr= 1--      1.3404                 2.0353                 2.3339
 AlphaG Fr= 1--    769.9036              1084.9775               132.1235
 Gamma2 Fr= 1--    392.4190               631.9334              -551.9662
 Delta2 Fr= 1--    -69.4974               -96.7925               -21.9445
 Raman1 Fr= 1--     139.252                202.780                 96.025
 ROA1   Fr= 1--   35448.309              57568.247             -53690.980
 CID1   Fr= 1--     254.562                283.896               -559.137
 Raman2 Fr= 1--      16.085                 24.424                 28.007
 ROA2   Fr= 1--    9974.035              15940.741             -13071.634
 CID2   Fr= 1--     620.075                652.664               -466.734
 Raman3 Fr= 1--      32.170                 48.848                 56.013
 ROA3   Fr= 1--   35448.309              57568.247             -53690.980
 CID3   Fr= 1--    1101.891               1178.513               -958.542
 RC180  Fr= 1--      -0.538                 -0.518                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
     5   6    -0.00   0.04   0.02     0.00  -0.00  -0.00     0.00   0.01   0.01
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02  -0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.03  -0.13  -0.05    -0.00   0.01   0.00     0.00  -0.04  -0.02
    15   6     0.03   0.01   0.01    -0.00  -0.00  -0.00    -0.06  -0.02  -0.01
    16   6    -0.01  -0.01   0.04     0.00   0.00  -0.00     0.02   0.01  -0.06
    17   8     0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    18   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00     0.02   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.04  -0.02    -0.00  -0.00   0.01
    20   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    21   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.01
    22   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00  -0.01   0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.04    -0.01  -0.01  -0.06
    26   6     0.00   0.00  -0.00     0.03   0.01  -0.01     0.05   0.02  -0.01
    27   6     0.00  -0.01   0.00     0.03  -0.13   0.05    -0.00   0.03  -0.01
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.01   0.01   0.02
    37   1     0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.03  -0.00
    38   1     0.00  -0.00  -0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.02
    39   1     0.00  -0.00  -0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.00  -0.02
    41   1    -0.00   0.00   0.01    -0.02   0.01   0.15    -0.03   0.01   0.25
    42   1     0.00   0.01   0.01     0.01   0.12   0.14     0.06   0.17   0.20
    43   1     0.01  -0.00   0.01     0.07  -0.05   0.17     0.12  -0.03   0.22
    44   1    -0.01  -0.00   0.01    -0.10  -0.03   0.06    -0.19  -0.05   0.11
    45   1    -0.01  -0.01   0.00    -0.11  -0.13   0.04    -0.17  -0.19   0.02
    46   1    -0.01   0.00   0.00    -0.16   0.03   0.01    -0.25   0.02  -0.01
    47   1     0.01   0.03  -0.03     0.08   0.44  -0.32    -0.02  -0.11   0.08
    48   1    -0.03   0.03  -0.01    -0.33   0.38  -0.14     0.09  -0.11   0.07
    49   1    -0.00   0.04   0.00    -0.04   0.48   0.01    -0.02  -0.14   0.01
    50   1     0.01   0.12  -0.14    -0.00  -0.01   0.01    -0.07  -0.18   0.22
    51   1    -0.02   0.01  -0.15     0.00  -0.00   0.01     0.03  -0.01   0.27
    52   1     0.07  -0.05  -0.17    -0.01   0.00   0.01    -0.14   0.04   0.24
    53   1    -0.16   0.03  -0.01     0.01  -0.00   0.00     0.28  -0.02  -0.01
    54   1    -0.11  -0.13  -0.04     0.01   0.01   0.00     0.19   0.21   0.02
    55   1    -0.10  -0.03  -0.06     0.01   0.00   0.00     0.21   0.05   0.12
    56   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00   0.01   0.02
    57   1     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    58   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.03  -0.00
    59   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.02  -0.01   0.02
    60   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.03
    61   1    -0.33   0.38   0.14     0.03  -0.03  -0.01    -0.10   0.12   0.07
    62   1     0.08   0.44   0.32    -0.01  -0.04  -0.03     0.03   0.13   0.08
    63   1    -0.04   0.48  -0.01     0.00  -0.04   0.00     0.02   0.16   0.01
                    133                    134                    135
                      A                      A                      A
 Frequencies --   1429.5443              1458.3969              1471.5108
 Red. masses --      1.2313                 6.3456                 5.8097
 Frc consts  --      1.4825                 7.9520                 7.4119
 IR Inten    --     14.7234                 0.4997                92.9174
 RamAct Fr= 1--      0.6926               568.2010                 7.4749
  Dep-P Fr= 1--      0.6703                 0.1471                 0.7294
  Dep-U Fr= 1--      0.8026                 0.2565                 0.8435
 Alpha2 Fr= 1--      0.0010                 8.8485                 0.0026
 Beta2  Fr= 1--      0.0926                24.2884                 1.0509
 AlphaG Fr= 1--      0.4912             19039.8044                -1.2912
 Gamma2 Fr= 1--    204.0996             58144.1183              3890.0822
 Delta2 Fr= 1--      1.4989             -1080.3289                31.6450
 Raman1 Fr= 1--       2.770               2272.804                 29.900
 ROA1   Fr= 1--   19641.528            5547264.833             374460.527
 CID1   Fr= 1--    7090.252               2440.714              12523.938
 Raman2 Fr= 1--       1.112                291.460                 12.610
 ROA2   Fr= 1--    4886.400            1404101.471              93108.812
 CID2   Fr= 1--    4395.487               4817.470               7383.533
 Raman3 Fr= 1--       2.223                582.921                 25.221
 ROA3   Fr= 1--   19641.528            5547264.833             374460.527
 CID3   Fr= 1--    8834.119               9516.329              14847.369
 RC180  Fr= 1--       0.605                 -0.487                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.00   0.01   0.01
     2   6     0.00   0.00   0.01     0.01   0.06   0.01    -0.01  -0.06  -0.01
     3   6    -0.00   0.01   0.00     0.04  -0.13  -0.01    -0.03   0.15   0.02
     4   6    -0.01  -0.00  -0.00     0.22   0.06   0.01    -0.18  -0.07  -0.01
     5   6     0.00   0.00   0.00    -0.02  -0.05  -0.01     0.01   0.04   0.01
     6   6    -0.00   0.00  -0.00    -0.01   0.03   0.01     0.01  -0.03   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     8   8     0.01  -0.00   0.00    -0.13   0.03   0.00     0.11  -0.02   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.01   0.00   0.00     0.18  -0.00   0.00    -0.18   0.01   0.00
    11   6     0.01  -0.01  -0.00    -0.30   0.04   0.00     0.28  -0.07  -0.01
    12   6    -0.00   0.00  -0.00     0.04  -0.02  -0.00    -0.03   0.04   0.00
    13   9     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.02     0.02  -0.01  -0.01    -0.02   0.00   0.01
    15   6    -0.05  -0.02  -0.01    -0.01  -0.01   0.01     0.00   0.00  -0.01
    16   6     0.01   0.01  -0.06     0.01  -0.00  -0.02    -0.01   0.00   0.02
    17   8     0.01  -0.00  -0.00     0.13  -0.03   0.00     0.11  -0.02  -0.00
    18   6    -0.01  -0.00   0.00    -0.22  -0.06   0.01    -0.18  -0.07   0.01
    19   6     0.00   0.00  -0.01     0.02   0.05  -0.01     0.01   0.04  -0.01
    20   6     0.00  -0.00  -0.00     0.02  -0.00  -0.01     0.01  -0.00  -0.01
    21   6     0.00  -0.00  -0.01    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    22   6    -0.00   0.01  -0.00    -0.04   0.13  -0.01    -0.03   0.15  -0.02
    23   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    24   6    -0.00   0.00   0.00     0.01  -0.03   0.01     0.01  -0.03  -0.00
    25   6     0.02   0.01   0.06    -0.01   0.00  -0.02    -0.01   0.00  -0.02
    26   6    -0.06  -0.02   0.01     0.01   0.01   0.01     0.00   0.00   0.01
    27   6     0.00  -0.04   0.02    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    28   6     0.02  -0.01   0.00     0.30  -0.04   0.00     0.28  -0.07   0.01
    29   6    -0.00   0.00   0.00    -0.04   0.02  -0.00    -0.03   0.04  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.01   0.00  -0.00    -0.18   0.00   0.00    -0.18   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1     0.02  -0.02  -0.02    -0.14   0.12   0.05    -0.15   0.12   0.09
    37   1    -0.01  -0.03   0.01     0.06   0.18   0.01     0.08   0.20   0.03
    38   1     0.00   0.01  -0.02    -0.01  -0.02   0.08    -0.01  -0.01   0.08
    39   1    -0.02   0.01   0.00     0.06  -0.04  -0.00     0.06  -0.03  -0.00
    40   1     0.01  -0.00   0.03     0.25   0.11  -0.04     0.24   0.11  -0.03
    41   1     0.03  -0.01  -0.27     0.01  -0.05   0.10     0.02  -0.08   0.07
    42   1    -0.07  -0.18  -0.22     0.07   0.08   0.10     0.06   0.07   0.09
    43   1    -0.14   0.04  -0.24     0.03  -0.03   0.09    -0.01  -0.05   0.07
    44   1     0.21   0.05  -0.12    -0.06  -0.02   0.04    -0.07   0.01   0.03
    45   1     0.19   0.21  -0.02    -0.05  -0.01  -0.06    -0.05   0.01  -0.10
    46   1     0.28  -0.02   0.01    -0.01  -0.04  -0.05     0.03  -0.05  -0.06
    47   1     0.03   0.13  -0.09     0.07  -0.05   0.14     0.11  -0.01   0.15
    48   1    -0.10   0.12  -0.08     0.03  -0.05   0.04    -0.01   0.01   0.03
    49   1     0.02   0.16  -0.01     0.09  -0.12  -0.04     0.12  -0.12  -0.05
    50   1    -0.06  -0.17   0.20    -0.07  -0.08   0.10     0.06   0.07  -0.09
    51   1     0.03  -0.01   0.24    -0.01   0.05   0.10     0.02  -0.08  -0.07
    52   1    -0.12   0.03   0.22    -0.03   0.03   0.09    -0.01  -0.05  -0.07
    53   1     0.25  -0.01  -0.01     0.01   0.04  -0.05     0.03  -0.05   0.06
    54   1     0.17   0.19   0.02     0.05   0.01  -0.06    -0.05   0.01   0.10
    55   1     0.19   0.05   0.11     0.06   0.02   0.04    -0.07   0.01  -0.03
    56   1     0.00   0.01   0.02     0.01   0.02   0.07    -0.01  -0.01  -0.08
    57   1    -0.02   0.01  -0.00    -0.06   0.04  -0.00     0.06  -0.03   0.00
    58   1    -0.01  -0.03  -0.00    -0.06  -0.18   0.01     0.08   0.20  -0.03
    59   1     0.02  -0.01   0.02     0.14  -0.12   0.05    -0.15   0.12  -0.09
    60   1     0.01  -0.00  -0.03    -0.25  -0.11  -0.04     0.24   0.11   0.03
    61   1    -0.09   0.11   0.07    -0.03   0.05   0.04    -0.01   0.01  -0.03
    62   1     0.02   0.12   0.08    -0.07   0.05   0.14     0.11  -0.01  -0.15
    63   1     0.02   0.14   0.01    -0.09   0.12  -0.04     0.12  -0.12   0.05
                    136                    137                    138
                      A                      A                      A
 Frequencies --   1485.0771              1485.1138              1485.6781
 Red. masses --      1.0573                 1.0636                 1.0540
 Frc consts  --      1.3739                 1.3821                 1.3706
 IR Inten    --      0.8962                 8.4423                 8.6248
 RamAct Fr= 1--     54.9447                 8.4469                 4.7313
  Dep-P Fr= 1--      0.1199                 0.4223                 0.7110
  Dep-U Fr= 1--      0.2142                 0.5938                 0.8311
 Alpha2 Fr= 1--      0.9159                 0.0577                 0.0032
 Beta2  Fr= 1--      1.9612                 0.8360                 0.6554
 AlphaG Fr= 1--   2124.9532               127.0734                 1.7940
 Gamma2 Fr= 1--   7594.6771                87.3555              1102.0949
 Delta2 Fr= 1--     -6.8913                -0.0986                16.3018
 Raman1 Fr= 1--     219.779                 33.788                 18.925
 ROA1   Fr= 1--  728868.484               8382.977             106322.764
 CID1   Fr= 1--    3316.375                248.108               5618.060
 Raman2 Fr= 1--      23.534                 10.032                  7.864
 ROA2   Fr= 1--  182327.382               2097.322              26319.862
 CID2   Fr= 1--    7747.396                209.063               3346.763
 Raman3 Fr= 1--      47.068                 20.064                 15.729
 ROA3   Fr= 1--  728868.484               8382.977             106322.764
 CID3   Fr= 1--   15485.421                417.811               6759.858
 RC180  Fr= 1--      -0.572                  0.188                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.01
     6   6    -0.00   0.01  -0.01     0.00  -0.02   0.01    -0.00   0.02  -0.01
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.01
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.01  -0.00  -0.00    -0.02   0.01   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.02
    15   6    -0.01   0.02   0.00     0.01  -0.03  -0.01    -0.00  -0.00   0.02
    16   6     0.01  -0.01  -0.00    -0.01   0.02   0.00    -0.02  -0.00  -0.01
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.00  -0.00
    19   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00  -0.00  -0.00
    23   6     0.01  -0.01   0.02     0.01  -0.01   0.01     0.00  -0.00   0.00
    24   6     0.00  -0.02  -0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    25   6    -0.01   0.02  -0.00    -0.01   0.01  -0.00    -0.02  -0.00   0.01
    26   6     0.01  -0.03   0.01     0.01  -0.02   0.00    -0.00  -0.00  -0.02
    27   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.02
    28   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    31   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    36   1    -0.11   0.08   0.15    -0.07   0.05   0.09     0.06  -0.04  -0.07
    37   1     0.11   0.17   0.06     0.07   0.10   0.04    -0.06  -0.09  -0.03
    38   1     0.02   0.11  -0.16     0.01   0.07  -0.10     0.00  -0.00   0.00
    39   1    -0.19   0.02  -0.07    -0.12   0.01  -0.04    -0.00   0.00   0.00
    40   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.01   0.00   0.01
    41   1     0.12  -0.31   0.06     0.08  -0.19   0.04     0.00  -0.04   0.13
    42   1     0.24   0.05   0.06     0.16   0.03   0.03     0.20  -0.06  -0.06
    43   1    -0.18  -0.08  -0.10    -0.11  -0.05  -0.07     0.05   0.13  -0.12
    44   1    -0.17   0.36  -0.06    -0.10   0.23  -0.04     0.12   0.02  -0.07
    45   1    -0.17  -0.06  -0.23    -0.11  -0.04  -0.14     0.02  -0.09   0.19
    46   1     0.18   0.12   0.17     0.11   0.08   0.11    -0.09   0.12   0.13
    47   1     0.02   0.00   0.02     0.01   0.00   0.01     0.17   0.12   0.11
    48   1    -0.01   0.01  -0.03    -0.01   0.01  -0.02    -0.08   0.12   0.14
    49   1     0.04   0.01  -0.02     0.02   0.00  -0.01     0.06  -0.15  -0.02
    50   1    -0.15  -0.03   0.03     0.25   0.04  -0.05     0.27  -0.08   0.09
    51   1    -0.08   0.19   0.04     0.12  -0.31  -0.07    -0.00  -0.05  -0.18
    52   1     0.11   0.05  -0.06    -0.17  -0.07   0.11     0.07   0.17   0.16
    53   1    -0.11  -0.07   0.11     0.17   0.13  -0.18    -0.12   0.16  -0.18
    54   1     0.11   0.03  -0.14    -0.17  -0.06   0.22     0.03  -0.12  -0.26
    55   1     0.10  -0.23  -0.04    -0.16   0.37   0.07     0.16   0.03   0.09
    56   1    -0.01  -0.07  -0.10     0.02   0.11   0.16     0.00  -0.00  -0.01
    57   1     0.12  -0.01  -0.04    -0.19   0.02   0.07     0.00   0.00  -0.00
    58   1    -0.07  -0.11   0.04     0.11   0.16  -0.06    -0.08  -0.12   0.04
    59   1     0.07  -0.05   0.09    -0.11   0.08  -0.14     0.09  -0.06   0.10
    60   1     0.01   0.00  -0.00    -0.02  -0.01   0.00     0.01   0.00  -0.01
    61   1     0.01  -0.01  -0.02    -0.02   0.02   0.02    -0.11   0.16  -0.19
    62   1    -0.01  -0.00   0.02     0.02   0.01  -0.02     0.24   0.16  -0.15
    63   1    -0.03  -0.00  -0.01     0.04   0.00   0.02     0.08  -0.21   0.03
                    139                    140                    141
                      A                      A                      A
 Frequencies --   1485.7114              1493.5813              1493.6652
 Red. masses --      1.0533                 1.0485                 1.0484
 Frc consts  --      1.3698                 1.3781                 1.3782
 IR Inten    --      3.8464                 0.9334                 3.7073
 RamAct Fr= 1--      4.8896                 7.2155                63.0470
  Dep-P Fr= 1--      0.1068                 0.7500                 0.2294
  Dep-U Fr= 1--      0.1930                 0.8571                 0.3732
 Alpha2 Fr= 1--      0.0842                 0.0000                 0.7910
 Beta2  Fr= 1--      0.1573                 1.0308                 3.9216
 AlphaG Fr= 1--    116.0185                -0.0130              1190.4593
 Gamma2 Fr= 1--   -151.6130              -309.8818              3584.8946
 Delta2 Fr= 1--     -5.6567                 3.8750              -160.4280
 Raman1 Fr= 1--      19.558                 28.862                252.188
 ROA1   Fr= 1--  -14735.868             -29624.648             339016.183
 CID1   Fr= 1--    -753.433              -1026.426               1344.300
 Raman2 Fr= 1--       1.888                 12.369                 47.059
 ROA2   Fr= 1--   -3593.459              -7468.163              87320.894
 CID2   Fr= 1--   -1903.501               -603.763               1855.564
 Raman3 Fr= 1--       3.776                 24.739                 94.118
 ROA3   Fr= 1--  -14735.868             -29624.648             339016.183
 CID3   Fr= 1--   -3902.887              -1197.502               3602.036
 RC180  Fr= 1--      -0.614                  0.714                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.01     0.01  -0.01   0.01    -0.01   0.01  -0.01
     6   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.01   0.00  -0.01     0.00   0.01  -0.00    -0.00  -0.01   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.00  -0.02     0.02  -0.00   0.03    -0.02   0.00  -0.03
    15   6     0.00   0.00  -0.02    -0.00  -0.00  -0.01     0.00   0.00   0.01
    16   6     0.02   0.00   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
    17   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    18   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    20   6    -0.01  -0.00  -0.01     0.00   0.01   0.00     0.00   0.01   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6    -0.00   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.02  -0.00   0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    26   6    -0.00  -0.01  -0.02    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    27   6    -0.01  -0.00  -0.02     0.02  -0.00  -0.03     0.02  -0.00  -0.03
    28   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    36   1     0.08  -0.06  -0.09     0.01  -0.00  -0.02     0.01  -0.00  -0.02
    37   1    -0.08  -0.12  -0.04     0.00  -0.02   0.01     0.00  -0.02   0.01
    38   1     0.00   0.00  -0.00    -0.00  -0.01   0.02    -0.00  -0.01   0.02
    39   1    -0.01   0.00   0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    40   1     0.01  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    41   1     0.00  -0.06   0.18     0.05  -0.09  -0.12     0.05  -0.09  -0.11
    42   1     0.28  -0.08  -0.09    -0.10   0.07   0.08    -0.10   0.07   0.08
    43   1     0.06   0.17  -0.17    -0.13  -0.15   0.07    -0.12  -0.15   0.07
    44   1     0.16   0.04  -0.09    -0.02   0.00   0.01    -0.02  -0.00   0.01
    45   1     0.02  -0.12   0.25     0.01   0.04  -0.05     0.01   0.04  -0.06
    46   1    -0.11   0.16   0.19     0.04  -0.03  -0.04     0.04  -0.04  -0.04
    47   1     0.24   0.16   0.15     0.06   0.21  -0.12     0.06   0.21  -0.12
    48   1    -0.11   0.16   0.19    -0.01   0.06   0.43    -0.02   0.06   0.42
    49   1     0.08  -0.21  -0.03    -0.31  -0.20   0.13    -0.30  -0.20   0.12
    50   1    -0.21   0.06  -0.06    -0.10   0.07  -0.08     0.10  -0.07   0.08
    51   1    -0.00   0.04   0.13     0.05  -0.09   0.11    -0.05   0.09  -0.12
    52   1    -0.05  -0.13  -0.12    -0.12  -0.15  -0.06     0.13   0.15   0.07
    53   1     0.09  -0.12   0.14     0.04  -0.03   0.03    -0.04   0.04  -0.04
    54   1    -0.02   0.09   0.19     0.01   0.04   0.05    -0.01  -0.04  -0.06
    55   1    -0.12  -0.03  -0.07    -0.02   0.00  -0.01     0.02   0.00   0.01
    56   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.02
    57   1     0.00  -0.00   0.00     0.02  -0.00  -0.01    -0.03   0.00   0.01
    58   1     0.06   0.09  -0.03     0.00  -0.02  -0.01    -0.00   0.02   0.01
    59   1    -0.06   0.04  -0.07     0.01  -0.00   0.02    -0.01   0.00  -0.02
    60   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    61   1     0.08  -0.12   0.14    -0.01   0.06  -0.42     0.01  -0.06   0.43
    62   1    -0.17  -0.12   0.11     0.06   0.21   0.12    -0.06  -0.21  -0.12
    63   1    -0.05   0.15  -0.02    -0.31  -0.20  -0.12     0.31   0.20   0.13
                    142                    143                    144
                      A                      A                      A
 Frequencies --   1499.6388              1499.7784              1503.0989
 Red. masses --      1.0592                 1.0650                 1.0598
 Frc consts  --      1.4034                 1.4114                 1.4107
 IR Inten    --      0.1653                 4.9739                 0.1373
 RamAct Fr= 1--     20.0329                 0.9777                19.6733
  Dep-P Fr= 1--      0.3241                 0.7419                 0.1213
  Dep-U Fr= 1--      0.4896                 0.8518                 0.2163
 Alpha2 Fr= 1--      0.1909                 0.0001                 0.3269
 Beta2  Fr= 1--      1.6346                 0.1388                 0.7092
 AlphaG Fr= 1--    599.4443                -0.0154               796.7954
 Gamma2 Fr= 1--   5116.2297               132.6106              3138.6277
 Delta2 Fr= 1--    -20.0414                 6.3019                16.9720
 Raman1 Fr= 1--      80.132                  3.911                 78.693
 ROA1   Fr= 1--  490516.724              12932.276             301851.361
 CID1   Fr= 1--    6121.396               3306.692               3835.798
 Raman2 Fr= 1--      19.615                  1.666                  8.510
 ROA2   Fr= 1--  122949.843               3132.239              75191.288
 CID2   Fr= 1--    6268.075               1880.420               8835.285
 Raman3 Fr= 1--      39.230                  3.331                 17.021
 ROA3   Fr= 1--  490516.724              12932.276             301851.361
 CID3   Fr= 1--   12503.455               3881.905              17734.387
 RC180  Fr= 1--      -0.021                  0.704                 -0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01   0.01   0.02    -0.01   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01  -0.00
     5   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.01  -0.01
     6   6    -0.00   0.02  -0.01    -0.00   0.02  -0.01    -0.00   0.01  -0.01
     7   6     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.01   0.01   0.01
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.00  -0.01
    15   6     0.00   0.00  -0.02     0.00   0.00  -0.02    -0.00   0.00   0.01
    16   6     0.00   0.01   0.01     0.00   0.02   0.01    -0.01   0.02  -0.00
    17   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.01  -0.00
    19   6     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02  -0.01  -0.01
    20   6    -0.00  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.01   0.01
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.02    -0.01   0.01  -0.02     0.01  -0.01   0.01
    24   6     0.00  -0.02  -0.01    -0.00   0.02   0.01     0.00  -0.01  -0.01
    25   6    -0.00  -0.01   0.01     0.00   0.02  -0.01     0.01  -0.02  -0.00
    26   6    -0.00  -0.00  -0.02     0.00   0.00   0.02     0.00  -0.00   0.01
    27   6     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00  -0.01
    28   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.01   0.00   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00   0.00   0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
    32   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    36   1    -0.11   0.08   0.13     0.12  -0.09  -0.13    -0.08   0.06   0.13
    37   1     0.10   0.15   0.06    -0.11  -0.16  -0.06     0.08   0.14   0.04
    38   1     0.02   0.10  -0.16    -0.02  -0.11   0.16     0.01   0.08  -0.12
    39   1    -0.18   0.02  -0.06     0.19  -0.02   0.07    -0.13   0.02  -0.05
    40   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.00  -0.01
    41   1    -0.08   0.18   0.03     0.08  -0.19  -0.03    -0.10   0.26  -0.06
    42   1    -0.04  -0.08  -0.09     0.04   0.08   0.10    -0.24  -0.03  -0.03
    43   1     0.14   0.13  -0.02    -0.15  -0.14   0.01     0.14   0.05   0.12
    44   1     0.12   0.02  -0.06    -0.12  -0.02   0.07    -0.07   0.02   0.02
    45   1     0.01  -0.09   0.17    -0.01   0.09  -0.17    -0.02   0.04  -0.11
    46   1    -0.07   0.11   0.13     0.07  -0.11  -0.13     0.07  -0.04  -0.05
    47   1    -0.16  -0.01  -0.19     0.15   0.01   0.19     0.24   0.11   0.21
    48   1     0.09  -0.10   0.09    -0.09   0.10  -0.09    -0.13   0.17   0.07
    49   1    -0.24   0.05   0.10     0.24  -0.04  -0.10     0.19  -0.16  -0.08
    50   1     0.04   0.08  -0.09     0.04   0.08  -0.09     0.22   0.02  -0.03
    51   1     0.08  -0.18   0.03     0.08  -0.18   0.03     0.10  -0.24  -0.06
    52   1    -0.14  -0.13  -0.02    -0.14  -0.13  -0.01    -0.13  -0.04   0.11
    53   1     0.07  -0.11   0.13     0.07  -0.11   0.13    -0.07   0.04  -0.04
    54   1    -0.01   0.09   0.18    -0.01   0.09   0.17     0.02  -0.03  -0.10
    55   1    -0.12  -0.02  -0.07    -0.12  -0.02  -0.06     0.06  -0.02   0.02
    56   1    -0.02  -0.11  -0.16    -0.02  -0.11  -0.16    -0.01  -0.08  -0.11
    57   1     0.18  -0.02  -0.06     0.18  -0.02  -0.06     0.13  -0.02  -0.04
    58   1    -0.11  -0.16   0.06    -0.11  -0.16   0.06    -0.07  -0.13   0.03
    59   1     0.12  -0.09   0.13     0.12  -0.09   0.13     0.08  -0.06   0.12
    60   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01     0.01  -0.00  -0.01
    61   1    -0.09   0.10   0.09    -0.09   0.10   0.09     0.12  -0.16   0.06
    62   1     0.16   0.01  -0.19     0.15   0.01  -0.18    -0.23  -0.10   0.19
    63   1     0.24  -0.05   0.10     0.23  -0.04   0.10    -0.18   0.15  -0.07
                    145                    146                    147
                      A                      A                      A
 Frequencies --   1503.1834              1510.4488              1510.5032
 Red. masses --      1.0684                 1.0758                 1.0745
 Frc consts  --      1.4223                 1.4461                 1.4445
 IR Inten    --     15.6151                 0.6040                 0.2866
 RamAct Fr= 1--      4.1100                 2.5787                52.7912
  Dep-P Fr= 1--      0.7281                 0.2652                 0.2106
  Dep-U Fr= 1--      0.8427                 0.4192                 0.3480
 Alpha2 Fr= 1--      0.0015                 0.0293                 0.6969
 Beta2  Fr= 1--      0.5772                 0.1802                 3.0615
 AlphaG Fr= 1--      1.7012                47.6521              1246.9914
 Gamma2 Fr= 1--    720.1626               -45.4610              6494.8032
 Delta2 Fr= 1--      9.5693                -4.9057               -89.9141
 Raman1 Fr= 1--      16.440                 10.315                211.165
 ROA1   Fr= 1--   69441.829              -4521.238             620623.857
 CID1   Fr= 1--    4223.972               -438.328               2939.051
 Raman2 Fr= 1--       6.927                  2.162                 36.737
 ROA2   Fr= 1--   17207.348              -1051.818             156594.590
 CID2   Fr= 1--    2484.236               -486.478               4262.536
 Raman3 Fr= 1--      13.853                  4.324                 73.475
 ROA3   Fr= 1--   69441.829              -4521.238             620623.857
 CID3   Fr= 1--    5012.682              -1045.563               8446.753
 RC180  Fr= 1--       0.685                 -0.162                 -0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.01
     2   6     0.00   0.01  -0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
     4   6     0.01   0.01   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
     5   6    -0.02  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.01  -0.00
     6   6     0.00  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.01
     7   6     0.01  -0.01  -0.01    -0.02  -0.00  -0.03     0.02   0.00   0.02
     8   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.02   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.01     0.01   0.01  -0.02    -0.01  -0.01   0.01
    16   6     0.01  -0.02   0.00    -0.02  -0.01  -0.00     0.02   0.01   0.00
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   6     0.01   0.01  -0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6    -0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.01  -0.01  -0.01
    20   6     0.01  -0.01   0.01    -0.02  -0.00   0.02    -0.02  -0.00   0.03
    21   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.00   0.01  -0.01
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    24   6     0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.02  -0.00    -0.02  -0.01   0.00    -0.02  -0.01   0.00
    26   6     0.00  -0.00   0.01     0.01   0.01   0.01     0.01   0.01   0.02
    27   6    -0.02  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.01  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.07   0.05   0.12    -0.06   0.04   0.08    -0.08   0.05   0.11
    37   1     0.07   0.12   0.03     0.06   0.08   0.04     0.09   0.12   0.05
    38   1     0.01   0.07  -0.11    -0.01  -0.05   0.08    -0.02  -0.07   0.12
    39   1    -0.13   0.02  -0.04     0.09  -0.00   0.04     0.13  -0.00   0.05
    40   1    -0.01  -0.00  -0.01    -0.02  -0.01   0.02    -0.03  -0.02   0.02
    41   1    -0.09   0.24  -0.06    -0.03   0.02   0.17    -0.04   0.03   0.25
    42   1    -0.22  -0.02  -0.03     0.20  -0.09  -0.11     0.29  -0.13  -0.15
    43   1     0.13   0.04   0.11     0.10   0.17  -0.14     0.15   0.25  -0.21
    44   1    -0.07   0.02   0.02    -0.10  -0.08   0.08    -0.15  -0.12   0.12
    45   1    -0.02   0.04  -0.11     0.03   0.11  -0.15     0.04   0.16  -0.22
    46   1     0.07  -0.04  -0.04     0.07  -0.13  -0.16     0.10  -0.19  -0.24
    47   1     0.23   0.10   0.20    -0.01   0.05  -0.05    -0.01   0.07  -0.08
    48   1    -0.12   0.16   0.06    -0.00   0.01   0.07    -0.01   0.02   0.10
    49   1     0.18  -0.15  -0.07    -0.08  -0.01   0.03    -0.11  -0.01   0.04
    50   1    -0.24  -0.02   0.03     0.29  -0.13   0.15    -0.20   0.09  -0.11
    51   1    -0.10   0.26   0.07    -0.04   0.03  -0.25     0.03  -0.02   0.18
    52   1     0.14   0.04  -0.12     0.15   0.25   0.21    -0.10  -0.18  -0.14
    53   1     0.08  -0.05   0.05     0.10  -0.19   0.24    -0.07   0.13  -0.16
    54   1    -0.02   0.04   0.11     0.04   0.16   0.22    -0.02  -0.11  -0.15
    55   1    -0.07   0.02  -0.02    -0.15  -0.12  -0.12     0.10   0.08   0.08
    56   1     0.01   0.08   0.12    -0.02  -0.07  -0.11     0.01   0.05   0.08
    57   1    -0.13   0.02   0.05     0.13  -0.00  -0.05    -0.09   0.00   0.04
    58   1     0.07   0.13  -0.03     0.09   0.12  -0.05    -0.06  -0.08   0.04
    59   1    -0.08   0.06  -0.13    -0.08   0.06  -0.12     0.05  -0.04   0.08
    60   1    -0.01  -0.00   0.01    -0.03  -0.02  -0.02     0.02   0.01   0.02
    61   1    -0.13   0.17  -0.07    -0.01   0.02  -0.10     0.00  -0.01   0.07
    62   1     0.24   0.11  -0.21    -0.01   0.07   0.08     0.01  -0.05  -0.05
    63   1     0.19  -0.16   0.08    -0.11  -0.01  -0.05     0.08   0.00   0.03
                    148                    149                    150
                      A                      A                      A
 Frequencies --   1519.0853              1519.1198              1524.7315
 Red. masses --      1.0886                 1.0842                 1.0869
 Frc consts  --      1.4801                 1.4742                 1.4888
 IR Inten    --      0.7083                 5.4508                 9.4928
 RamAct Fr= 1--     43.0987               141.2829                28.4172
  Dep-P Fr= 1--      0.7041                 0.2833                 0.7477
  Dep-U Fr= 1--      0.8263                 0.4415                 0.8557
 Alpha2 Fr= 1--      0.0344                 1.5223                 0.0011
 Beta2  Fr= 1--      5.9357                10.3972                 4.0526
 AlphaG Fr= 1--    146.0125              5139.3440                 1.1645
 Gamma2 Fr= 1--   7490.9597             38145.9636              2483.8888
 Delta2 Fr= 1--     82.3170                 5.8980                33.1005
 Raman1 Fr= 1--     172.395                565.132                113.669
 ROA1   Fr= 1--  721766.275            3662201.238             239512.545
 CID1   Fr= 1--    4186.703               6480.262               2107.107
 Raman2 Fr= 1--      71.228                124.766                 48.631
 ROA2   Fr= 1--  179124.497             915455.941              59348.528
 CID2   Fr= 1--    2514.800               7337.378               1220.380
 Raman3 Fr= 1--     142.456                249.532                 97.262
 ROA3   Fr= 1--  721766.275            3662201.238             239512.545
 CID3   Fr= 1--    5066.582              14676.268               2462.540
 RC180  Fr= 1--       0.653                 -0.117                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02   0.04
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.01   0.00
     3   6     0.00   0.02   0.00     0.00   0.02   0.00     0.00  -0.01  -0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.02  -0.00     0.00   0.01   0.00
     5   6     0.00   0.01   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.02    -0.00   0.03  -0.02    -0.00  -0.02   0.02
     7   6     0.00  -0.02  -0.01     0.00  -0.03  -0.01     0.01  -0.01   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.01     0.02  -0.02  -0.01    -0.01  -0.02   0.01
    16   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.00     0.01  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   6     0.00  -0.02   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6     0.00   0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.03   0.01    -0.00   0.02  -0.01     0.01  -0.01  -0.00
    21   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    22   6     0.00   0.02  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.03
    24   6    -0.00   0.03   0.02     0.00  -0.02  -0.02    -0.00  -0.02  -0.02
    25   6    -0.00  -0.02   0.00     0.00   0.01  -0.00     0.01  -0.00   0.00
    26   6     0.02  -0.02   0.01    -0.01   0.01  -0.01    -0.01  -0.02  -0.01
    27   6     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
    29   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.18  -0.12  -0.25    -0.12   0.08   0.17    -0.09   0.06   0.12
    37   1    -0.17  -0.26  -0.09     0.12   0.18   0.06     0.09   0.14   0.05
    38   1     0.00   0.01   0.00    -0.00  -0.01   0.00    -0.04  -0.20   0.31
    39   1    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.34  -0.03   0.13
    40   1     0.03   0.02  -0.00    -0.02  -0.01   0.00    -0.02   0.00  -0.01
    41   1    -0.10   0.22   0.04     0.07  -0.15  -0.03    -0.03   0.08  -0.05
    42   1    -0.08  -0.08  -0.10     0.05   0.05   0.07    -0.09  -0.01  -0.01
    43   1     0.18   0.14   0.02    -0.12  -0.09  -0.02     0.03  -0.00   0.04
    44   1    -0.22   0.31  -0.02     0.15  -0.21   0.01     0.04   0.20  -0.10
    45   1    -0.19  -0.05  -0.26     0.13   0.03   0.18    -0.06  -0.07   0.03
    46   1     0.18   0.07   0.11    -0.12  -0.05  -0.07     0.05   0.14   0.18
    47   1    -0.06  -0.01  -0.07     0.04   0.01   0.05     0.01   0.00   0.01
    48   1     0.04  -0.05   0.04    -0.03   0.03  -0.03    -0.00   0.01   0.00
    49   1    -0.09   0.01   0.04     0.06  -0.01  -0.03     0.01  -0.00  -0.00
    50   1    -0.05  -0.05   0.07    -0.08  -0.08   0.10    -0.10  -0.01   0.01
    51   1    -0.07   0.15  -0.03    -0.10   0.22  -0.04    -0.03   0.08   0.05
    52   1     0.12   0.10  -0.01     0.18   0.14  -0.02     0.03  -0.00  -0.04
    53   1     0.12   0.05  -0.07     0.18   0.07  -0.11     0.06   0.15  -0.19
    54   1    -0.13  -0.03   0.18    -0.19  -0.05   0.26    -0.06  -0.08  -0.03
    55   1    -0.15   0.21   0.01    -0.21   0.31   0.02     0.05   0.21   0.10
    56   1     0.00   0.01  -0.00     0.00   0.01   0.00    -0.04  -0.21  -0.33
    57   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.36  -0.03  -0.14
    58   1    -0.12  -0.18   0.06    -0.17  -0.27   0.09     0.10   0.15  -0.05
    59   1     0.12  -0.08   0.17     0.18  -0.12   0.25    -0.10   0.07  -0.13
    60   1     0.02   0.01   0.00     0.03   0.02   0.00    -0.02   0.00   0.01
    61   1     0.03  -0.03  -0.03     0.04  -0.05  -0.04    -0.00   0.01  -0.00
    62   1    -0.04  -0.01   0.05    -0.06  -0.01   0.07     0.01   0.00  -0.01
    63   1    -0.06   0.01  -0.03    -0.09   0.01  -0.04     0.01  -0.00   0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --   1524.7616              1547.7039              1559.6371
 Red. masses --      1.0857                 8.8775                 9.1090
 Frc consts  --      1.4872                12.5289                13.0547
 IR Inten    --     11.5930                10.6229               466.0002
 RamAct Fr= 1--     17.6567              1578.3971              1076.8473
  Dep-P Fr= 1--      0.1696                 0.3327                 0.7424
  Dep-U Fr= 1--      0.2901                 0.4993                 0.8522
 Alpha2 Fr= 1--      0.2596                14.6440                 0.1384
 Beta2  Fr= 1--      0.8536               131.3455               152.9457
 AlphaG Fr= 1--    608.3906             47458.9096                 6.0014
 Gamma2 Fr= 1--   3016.3975            309034.2158            286733.7000
 Delta2 Fr= 1--      4.6332             -4326.3433              3207.8750
 Raman1 Fr= 1--      70.627               6313.589               4307.389
 ROA1   Fr= 1--  289722.424           29528841.729           27629087.203
 CID1   Fr= 1--    4102.170               4677.030               6414.347
 Raman2 Fr= 1--      10.243               1576.146               1835.349
 ROA2   Fr= 1--   72356.475            7451431.925            6855945.801
 CID2   Fr= 1--    7064.207               4727.627               3735.501
 Raman3 Fr= 1--      20.485               3152.293               3670.697
 ROA3   Fr= 1--  289722.424           29528841.729           27629087.203
 CID3   Fr= 1--   14142.888               9367.418               7526.932
 RC180  Fr= 1--      -0.420                 -0.001                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.03     0.00   0.00  -0.01    -0.00  -0.00   0.01
     2   6     0.00  -0.01  -0.00     0.06   0.05   0.01    -0.06  -0.04  -0.00
     3   6    -0.00   0.01   0.00    -0.14  -0.36  -0.05     0.14   0.35   0.05
     4   6    -0.00  -0.01  -0.00    -0.21   0.18   0.02     0.25  -0.18  -0.02
     5   6     0.00   0.00   0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
     6   6     0.00   0.02  -0.02     0.00   0.02  -0.01    -0.00  -0.01   0.01
     7   6    -0.01   0.01  -0.00     0.04   0.02   0.00    -0.04  -0.02  -0.00
     8   8     0.00   0.00   0.00     0.10  -0.05  -0.00    -0.13   0.06   0.00
     9  29    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
    10   8    -0.00   0.00   0.00     0.04  -0.03  -0.00     0.00   0.03   0.00
    11   6     0.01  -0.01  -0.00     0.07   0.28   0.04    -0.13  -0.27  -0.04
    12   6    -0.00   0.00  -0.00     0.02  -0.10  -0.01    -0.02   0.09   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    14   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
    15   6     0.01   0.02  -0.01    -0.01  -0.01  -0.00     0.01   0.01   0.00
    16   6    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    17   8    -0.00  -0.00   0.00    -0.10   0.05  -0.00    -0.13   0.05  -0.00
    18   6     0.00   0.01  -0.00     0.21  -0.18   0.02     0.25  -0.18   0.02
    19   6    -0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    20   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00    -0.04  -0.02   0.00
    21   6    -0.00   0.01  -0.00    -0.06  -0.05   0.01    -0.06  -0.04   0.00
    22   6     0.00  -0.01   0.00     0.14   0.36  -0.05     0.14   0.35  -0.05
    23   6    -0.03   0.02  -0.04    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    24   6    -0.00  -0.02  -0.02    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    26   6    -0.01  -0.02  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    27   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    28   6    -0.01   0.01  -0.00    -0.07  -0.28   0.04    -0.13  -0.27   0.04
    29   6     0.00  -0.00  -0.00    -0.02   0.10  -0.01    -0.02   0.09  -0.01
    30   9    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    31   8     0.00  -0.00   0.00    -0.04   0.03  -0.00     0.00   0.03  -0.00
    32   9    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.01  -0.01   0.01
    33   9     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1    -0.10   0.07   0.13    -0.10   0.07   0.07    -0.09   0.06   0.08
    37   1     0.10   0.15   0.05     0.08   0.11   0.06     0.08   0.10   0.06
    38   1    -0.04  -0.21   0.33    -0.01   0.01   0.06    -0.01   0.01   0.06
    39   1     0.36  -0.03   0.14     0.04  -0.02   0.01     0.03  -0.01   0.01
    40   1    -0.02   0.00  -0.01     0.20   0.13   0.01     0.17   0.11   0.01
    41   1    -0.03   0.08  -0.05     0.04  -0.08   0.07     0.04  -0.08   0.06
    42   1    -0.10  -0.01  -0.01     0.07   0.00   0.00     0.06   0.00   0.00
    43   1     0.03  -0.00   0.04    -0.04  -0.02  -0.03    -0.05  -0.02  -0.03
    44   1     0.05   0.21  -0.10     0.03  -0.02   0.00     0.02  -0.02   0.00
    45   1    -0.06  -0.08   0.03     0.00  -0.02   0.04     0.01  -0.01   0.03
    46   1     0.05   0.15   0.19    -0.02   0.01   0.00    -0.02   0.00  -0.01
    47   1     0.01   0.00   0.01     0.06   0.03   0.04     0.08   0.04   0.05
    48   1    -0.00   0.01   0.00    -0.05   0.07  -0.03    -0.06   0.09  -0.03
    49   1     0.01  -0.00  -0.00     0.07  -0.00  -0.02     0.08  -0.01  -0.03
    50   1     0.09   0.01  -0.01    -0.07  -0.00   0.00     0.06   0.00  -0.00
    51   1     0.03  -0.08  -0.05    -0.04   0.08   0.07     0.04  -0.08  -0.06
    52   1    -0.03   0.00   0.04     0.04   0.02  -0.03    -0.05  -0.02   0.03
    53   1    -0.05  -0.14   0.18     0.02  -0.01   0.00    -0.02   0.00   0.01
    54   1     0.06   0.08   0.03    -0.00   0.02   0.04     0.01  -0.01  -0.03
    55   1    -0.04  -0.20  -0.10    -0.03   0.02   0.00     0.02  -0.02  -0.00
    56   1     0.04   0.20   0.31     0.01  -0.01   0.06    -0.01   0.01  -0.06
    57   1    -0.34   0.03   0.13    -0.04   0.02   0.01     0.03  -0.01  -0.01
    58   1    -0.09  -0.14   0.05    -0.08  -0.10   0.06     0.08   0.10  -0.06
    59   1     0.09  -0.07   0.12     0.10  -0.07   0.07    -0.09   0.06  -0.08
    60   1     0.02  -0.00  -0.01    -0.20  -0.13   0.01     0.17   0.11  -0.01
    61   1     0.00  -0.01   0.00     0.05  -0.07  -0.03    -0.06   0.09   0.03
    62   1    -0.01  -0.00   0.01    -0.06  -0.03   0.04     0.08   0.04  -0.05
    63   1    -0.01   0.00  -0.00    -0.07   0.00  -0.02     0.08  -0.01   0.03
                    154                    155                    156
                      A                      A                      A
 Frequencies --   1667.5869              1681.9102              3035.8874
 Red. masses --     11.9413                12.0763                 1.0378
 Frc consts  --     19.5650                20.1275                 5.6357
 IR Inten    --   1288.7588                 0.1615                14.1042
 RamAct Fr= 1--     38.1577             26180.8287                 4.4143
  Dep-P Fr= 1--      0.7447                 0.1287                 0.5832
  Dep-U Fr= 1--      0.8537                 0.2281                 0.7367
 Alpha2 Fr= 1--      0.0034               426.9697                 0.0138
 Beta2  Fr= 1--      5.4291               995.3134                 0.5420
 AlphaG Fr= 1--     -0.7865            646841.6353                -0.4483
 Gamma2 Fr= 1--  10894.1901            600087.9016              -115.2844
 Delta2 Fr= 1--    122.7609            -57648.3291                -3.5715
 Raman1 Fr= 1--     152.631             104723.315                 17.657
 ROA1   Fr= 1-- 1049770.597           55763692.028             -11181.596
 CID1   Fr= 1--    6877.849                532.486               -633.259
 Raman2 Fr= 1--      65.150              11943.761                  6.504
 ROA2   Fr= 1--  260478.475           14863296.272              -2738.254
 CID2   Fr= 1--    3998.157               1244.440               -421.003
 Raman3 Fr= 1--     130.299              23887.522                 13.008
 ROA3   Fr= 1-- 1049770.597           55763692.028             -11181.596
 CID3   Fr= 1--    8056.612               2334.428               -859.578
 RC180  Fr= 1--       0.707                 -0.544                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00   0.00
     2   6     0.02   0.02   0.00    -0.02  -0.02  -0.00     0.00  -0.00   0.00
     3   6    -0.23  -0.13  -0.02     0.22   0.13   0.02     0.00   0.00   0.00
     4   6     0.41  -0.14  -0.00    -0.40   0.14   0.00     0.00  -0.00   0.00
     5   6    -0.03   0.02  -0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.23   0.06   0.00     0.23  -0.06  -0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   8    -0.13  -0.01  -0.00     0.15   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.33   0.18   0.03    -0.34  -0.18  -0.03    -0.00  -0.00   0.00
    12   6    -0.02  -0.02  -0.00     0.01   0.03   0.00     0.00   0.00  -0.00
    13   9     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.02
    17   8    -0.23   0.06  -0.00    -0.23   0.06  -0.00    -0.00   0.00  -0.00
    18   6     0.41  -0.14   0.00     0.40  -0.14   0.00     0.00  -0.00  -0.00
    19   6    -0.03   0.02   0.00    -0.03   0.02  -0.00     0.00  -0.00   0.00
    20   6    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
    21   6     0.02   0.02  -0.00     0.02   0.02  -0.00     0.00  -0.00  -0.00
    22   6    -0.23  -0.13   0.02    -0.22  -0.13   0.02     0.00   0.00  -0.00
    23   6     0.01   0.00   0.01     0.01   0.00   0.01    -0.00   0.00  -0.00
    24   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.04
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.00  -0.01
    27   6     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    28   6     0.33   0.18  -0.03     0.34   0.18  -0.03    -0.00  -0.00  -0.00
    29   6    -0.02  -0.02   0.00    -0.01  -0.03   0.00     0.00  -0.00   0.00
    30   9     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.13  -0.01   0.00    -0.15  -0.00   0.00     0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00  -0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.01   0.06    -0.01  -0.01   0.05     0.01   0.01   0.00
    37   1     0.03   0.02   0.01     0.03   0.02   0.01    -0.01   0.00   0.01
    38   1     0.00   0.02   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    39   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    40   1    -0.03  -0.01   0.01    -0.03  -0.01   0.00    -0.00   0.00   0.00
    41   1     0.01  -0.03   0.04     0.01  -0.02   0.03    -0.29  -0.12   0.00
    42   1     0.04  -0.00   0.00     0.03  -0.00   0.00     0.01   0.37  -0.26
    43   1    -0.01   0.01  -0.02    -0.01   0.00  -0.02     0.30  -0.33  -0.17
    44   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.05  -0.05  -0.16
    45   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.23   0.26   0.13
    46   1     0.01  -0.00  -0.01     0.01  -0.00  -0.00     0.00  -0.25   0.20
    47   1     0.04   0.01   0.01     0.04   0.01   0.02     0.01  -0.01  -0.01
    48   1    -0.06   0.08  -0.05    -0.05   0.08  -0.04    -0.01  -0.00  -0.00
    49   1     0.04   0.02  -0.01     0.04   0.02  -0.01     0.01   0.00   0.03
    50   1     0.04  -0.00  -0.00    -0.03   0.00   0.00     0.01   0.18   0.13
    51   1     0.01  -0.03  -0.04    -0.01   0.02   0.03    -0.14  -0.06  -0.00
    52   1    -0.01   0.01   0.02     0.01  -0.00  -0.02     0.14  -0.16   0.08
    53   1     0.01  -0.00   0.01    -0.01   0.00  -0.00     0.00  -0.12  -0.10
    54   1     0.01   0.01   0.00    -0.01  -0.01  -0.00    -0.11   0.13  -0.06
    55   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.03  -0.03   0.08
    56   1     0.00   0.02  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    57   1    -0.02  -0.01   0.02     0.01   0.01  -0.01    -0.00  -0.00  -0.00
    58   1     0.03   0.02  -0.01    -0.03  -0.02   0.01    -0.00   0.00  -0.00
    59   1    -0.00  -0.01  -0.06     0.01   0.01   0.05     0.00   0.00  -0.00
    60   1    -0.03  -0.01  -0.01     0.03   0.01   0.00    -0.00   0.00  -0.00
    61   1    -0.06   0.08   0.05     0.05  -0.08  -0.04    -0.00  -0.00   0.00
    62   1     0.04   0.01  -0.01    -0.04  -0.01   0.02     0.01  -0.00   0.01
    63   1     0.04   0.02   0.01    -0.04  -0.02  -0.01     0.01   0.00  -0.02
                    157                    158                    159
                      A                      A                      A
 Frequencies --   3035.9072              3040.5098              3040.5492
 Red. masses --      1.0378                 1.0372                 1.0373
 Frc consts  --      5.6358                 5.6497                 5.6502
 IR Inten    --     12.0237                16.6833                16.5885
 RamAct Fr= 1--     23.5756                54.8916                59.7715
  Dep-P Fr= 1--      0.4906                 0.4163                 0.3782
  Dep-U Fr= 1--      0.6583                 0.5879                 0.5489
 Alpha2 Fr= 1--      0.1216                 0.3831                 0.4777
 Beta2  Fr= 1--      2.5865                 5.3786                 5.4677
 AlphaG Fr= 1--     -3.4476               -28.2071               -28.6853
 Gamma2 Fr= 1--    -63.9517               167.3512               122.8743
 Delta2 Fr= 1--     -1.4301               -11.1966               -11.9516
 Raman1 Fr= 1--      94.302                219.566                239.086
 ROA1   Fr= 1--   -6185.126              15707.429              11413.481
 CID1   Fr= 1--     -65.588                 71.538                 47.738
 Raman2 Fr= 1--      31.038                 64.543                 65.612
 ROA2   Fr= 1--   -1523.400               4106.002               3044.596
 CID2   Fr= 1--     -49.082                 63.616                 46.403
 Raman3 Fr= 1--      62.076                129.087                131.225
 ROA3   Fr= 1--   -6185.126              15707.429              11413.481
 CID3   Fr= 1--     -99.638                121.681                 86.977
 RC180  Fr= 1--       0.317                  0.176                  0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   6    -0.00   0.00   0.00     0.00  -0.03  -0.01     0.00  -0.00  -0.00
    15   6     0.02   0.00   0.01     0.03   0.01   0.02     0.00   0.00   0.00
    16   6    -0.00   0.01  -0.04    -0.00  -0.00   0.02    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00  -0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00   0.02
    26   6    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.02
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.03  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    38   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    40   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    41   1     0.14   0.06  -0.00     0.00   0.00   0.00    -0.16  -0.07  -0.00
    42   1    -0.01  -0.18   0.13    -0.00  -0.00   0.00     0.01   0.21  -0.15
    43   1    -0.14   0.16   0.08    -0.00   0.00   0.00     0.16  -0.17  -0.09
    44   1     0.03   0.03   0.08    -0.00  -0.00  -0.00     0.07   0.06   0.18
    45   1     0.11  -0.13  -0.06    -0.00   0.01   0.00     0.26  -0.30  -0.15
    46   1    -0.00   0.12  -0.10     0.00  -0.01   0.00    -0.00   0.29  -0.24
    47   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.25  -0.16  -0.21
    48   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.36  -0.25   0.01
    49   1    -0.01  -0.00  -0.02    -0.00  -0.00  -0.00     0.15   0.04   0.37
    50   1     0.01   0.37   0.26    -0.01  -0.20  -0.14    -0.00  -0.00  -0.00
    51   1    -0.29  -0.12  -0.00     0.16   0.07  -0.00     0.00   0.00   0.00
    52   1     0.30  -0.33   0.17    -0.15   0.17  -0.09    -0.00   0.00  -0.00
    53   1     0.00  -0.25  -0.20     0.00  -0.29  -0.23     0.00  -0.00  -0.00
    54   1    -0.23   0.26  -0.13    -0.25   0.29  -0.15    -0.00   0.00  -0.00
    55   1    -0.05  -0.05   0.16    -0.06  -0.06   0.18    -0.00  -0.00   0.00
    56   1     0.01   0.00  -0.00     0.02   0.00  -0.00     0.00   0.00  -0.00
    57   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    58   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    59   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    61   1    -0.01  -0.01   0.00     0.37   0.25   0.01     0.01   0.00   0.00
    62   1     0.01  -0.01   0.01    -0.25   0.16  -0.21    -0.00   0.00  -0.00
    63   1     0.01   0.00  -0.03    -0.15  -0.04   0.37    -0.00  -0.00   0.01
                    160                    161                    162
                      A                      A                      A
 Frequencies --   3043.6614              3043.7706              3062.2768
 Red. masses --      1.0372                 1.0372                 1.0595
 Frc consts  --      5.6611                 5.6615                 5.8538
 IR Inten    --     43.3107                44.5965                16.3434
 RamAct Fr= 1--     90.2377               934.8949               142.7595
  Dep-P Fr= 1--      0.4713                 0.0027                 0.2240
  Dep-U Fr= 1--      0.6406                 0.0054                 0.3660
 Alpha2 Fr= 1--      0.5065                20.6444                 1.8178
 Beta2  Fr= 1--      9.6348                 0.8424                 8.7085
 AlphaG Fr= 1--     93.2582              3915.9509               801.8613
 Gamma2 Fr= 1--    855.2554               326.1469               259.5353
 Delta2 Fr= 1--     54.7475               -26.5917                85.2825
 Raman1 Fr= 1--     360.951               3739.580                571.038
 ROA1   Fr= 1--   83856.442              30459.170              27644.424
 CID1   Fr= 1--     232.321                  8.145                 48.411
 Raman2 Fr= 1--     115.618                 10.108                104.502
 ROA2   Fr= 1--   20088.150               8040.259               5546.587
 CID2   Fr= 1--     173.746                795.405                 53.076
 Raman3 Fr= 1--     231.236                 20.217                209.004
 ROA3   Fr= 1--   83856.442              30459.170              27644.424
 CID3   Fr= 1--     362.645               1506.629                132.268
 RC180  Fr= 1--       0.281                 -0.989                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.02
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.05   0.04
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.01     0.00  -0.02  -0.01     0.00  -0.00  -0.00
    15   6    -0.02  -0.00  -0.01    -0.02  -0.00  -0.01    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.02     0.00   0.00  -0.01    -0.00   0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    25   6     0.00   0.00   0.01    -0.00  -0.00  -0.02     0.00  -0.00  -0.00
    26   6    -0.02  -0.00   0.01     0.02   0.00  -0.01     0.00  -0.00  -0.00
    27   6     0.00  -0.02   0.01    -0.00   0.03  -0.01    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.03  -0.03  -0.00     0.04   0.04   0.00    -0.08  -0.08  -0.01
    37   1     0.02  -0.00  -0.02    -0.03   0.01   0.03     0.07  -0.01  -0.07
    38   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.06   0.00   0.01
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1    -0.00   0.01   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    41   1    -0.11  -0.04  -0.00     0.15   0.06   0.00     0.00   0.00   0.00
    42   1     0.00   0.12  -0.08    -0.00  -0.17   0.12    -0.00  -0.00   0.00
    43   1     0.10  -0.11  -0.06    -0.14   0.16   0.08    -0.00   0.00   0.00
    44   1     0.04   0.03   0.10    -0.05  -0.05  -0.14     0.00  -0.00  -0.00
    45   1     0.14  -0.16  -0.08    -0.20   0.23   0.11    -0.00   0.00   0.00
    46   1    -0.00   0.14  -0.12     0.00  -0.20   0.16     0.00  -0.00   0.00
    47   1    -0.16   0.10   0.13     0.21  -0.14  -0.18     0.00  -0.00  -0.00
    48   1     0.22   0.15  -0.01    -0.30  -0.20   0.01    -0.00  -0.00   0.00
    49   1    -0.09  -0.02  -0.23     0.12   0.03   0.31     0.00   0.00   0.01
    50   1     0.00   0.17   0.12     0.00   0.12   0.09     0.00   0.00   0.00
    51   1    -0.15  -0.06   0.00    -0.11  -0.04   0.00    -0.01  -0.00   0.00
    52   1     0.14  -0.16   0.09     0.11  -0.12   0.06     0.01  -0.01   0.01
    53   1    -0.00   0.20   0.16    -0.00   0.15   0.12    -0.00   0.02   0.01
    54   1     0.20  -0.23   0.12     0.15  -0.17   0.08     0.02  -0.02   0.01
    55   1     0.05   0.05  -0.14     0.04   0.04  -0.10    -0.00   0.00  -0.00
    56   1    -0.02  -0.00   0.00    -0.01  -0.00   0.00    -0.34  -0.03   0.03
    57   1     0.00   0.00   0.00     0.00   0.00   0.00     0.09   0.11   0.16
    58   1     0.03  -0.01   0.03     0.02  -0.00   0.02    -0.43   0.09  -0.40
    59   1    -0.04  -0.04   0.00    -0.03  -0.03   0.00     0.47   0.48  -0.03
    60   1    -0.01   0.01  -0.00    -0.00   0.01  -0.00     0.01  -0.01   0.00
    61   1     0.30   0.20   0.01     0.21   0.14   0.01     0.03   0.02   0.00
    62   1    -0.21   0.13  -0.18    -0.15   0.10  -0.13    -0.02   0.01  -0.02
    63   1    -0.12  -0.03   0.30    -0.09  -0.02   0.22    -0.02  -0.00   0.05
                    163                    164                    165
                      A                      A                      A
 Frequencies --   3062.3155              3071.6227              3071.7453
 Red. masses --      1.0595                 1.0635                 1.0635
 Frc consts  --      5.8540                 5.9118                 5.9122
 IR Inten    --     30.5997                59.2053                31.7465
 RamAct Fr= 1--     99.3527                22.1517               758.9905
  Dep-P Fr= 1--      0.3266                 0.6002                 0.0769
  Dep-U Fr= 1--      0.4924                 0.7502                 0.1427
 Alpha2 Fr= 1--      0.9396                 0.0614                14.0577
 Beta2  Fr= 1--      8.1531                 2.7696                18.0565
 AlphaG Fr= 1--    403.6612                 8.2497              1724.0495
 Gamma2 Fr= 1--    295.5345              -979.0650              -957.4129
 Delta2 Fr= 1--     70.7372                -7.3747              -149.8730
 Raman1 Fr= 1--     397.411                 88.607               3035.962
 ROA1   Fr= 1--   30634.898             -94226.225             -96707.574
 CID1   Fr= 1--      77.086              -1063.419                -31.854
 Raman2 Fr= 1--      97.838                 33.235                216.678
 ROA2   Fr= 1--    6526.930             -23438.561             -21778.925
 CID2   Fr= 1--      66.712               -705.233               -100.513
 Raman3 Fr= 1--     195.675                 66.470                433.357
 ROA3   Fr= 1--   30634.898             -94226.225             -96707.574
 CID3   Fr= 1--     156.560              -1417.566               -223.159
 RC180  Fr= 1--      -0.015                  0.500                 -0.715
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.01   0.03     0.03  -0.01  -0.02
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.01   0.01     0.00  -0.02   0.01    -0.00   0.01  -0.01
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
    16   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6     0.02  -0.01   0.02    -0.03   0.01  -0.02    -0.04   0.01  -0.03
    24   6    -0.00  -0.05  -0.04     0.00  -0.01  -0.01     0.00  -0.02  -0.01
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.47   0.48   0.03     0.11   0.12   0.01     0.13   0.13   0.01
    37   1    -0.43   0.09   0.40    -0.15   0.03   0.14    -0.18   0.04   0.17
    38   1    -0.34  -0.03  -0.03     0.52   0.04   0.05     0.59   0.04   0.06
    39   1     0.09   0.11  -0.16    -0.12  -0.14   0.21    -0.13  -0.16   0.24
    40   1     0.01  -0.01  -0.00    -0.03   0.04   0.01    -0.03   0.05   0.01
    41   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    42   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    43   1     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    44   1    -0.00   0.00   0.00    -0.01  -0.01  -0.03    -0.01  -0.01  -0.04
    45   1     0.02  -0.02  -0.01     0.02  -0.03  -0.01     0.03  -0.03  -0.02
    46   1    -0.00   0.02  -0.01     0.00   0.02  -0.02     0.00   0.03  -0.02
    47   1    -0.02   0.01   0.02    -0.01   0.00   0.00    -0.01   0.00   0.01
    48   1     0.03   0.02  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    49   1    -0.02  -0.00  -0.05    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01
    50   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   1    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    52   1     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    53   1    -0.00   0.00   0.00     0.00   0.03   0.02    -0.00  -0.02  -0.02
    54   1     0.00  -0.00   0.00     0.03  -0.03   0.02    -0.03   0.03  -0.01
    55   1    -0.00   0.00   0.00    -0.02  -0.01   0.04     0.01   0.01  -0.03
    56   1    -0.05  -0.00   0.01     0.59   0.04  -0.06    -0.52  -0.04   0.05
    57   1     0.01   0.02   0.03    -0.13  -0.16  -0.24     0.12   0.14   0.21
    58   1    -0.07   0.01  -0.07    -0.18   0.04  -0.16     0.16  -0.03   0.14
    59   1     0.08   0.08  -0.01     0.13   0.13  -0.01    -0.11  -0.12   0.01
    60   1     0.00  -0.00   0.00    -0.03   0.05  -0.01     0.03  -0.04   0.01
    61   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    63   1    -0.00  -0.00   0.01    -0.01  -0.00   0.01     0.01   0.00  -0.01
                    166                    167                    168
                      A                      A                      A
 Frequencies --   3087.0786              3087.0936              3093.6123
 Red. masses --      1.1012                 1.1012                 1.1005
 Frc consts  --      6.1834                 6.1835                 6.2054
 IR Inten    --      1.3013                 1.3328                 4.7043
 RamAct Fr= 1--     17.1864                17.1063               159.8232
  Dep-P Fr= 1--      0.6745                 0.6769                 0.7442
  Dep-U Fr= 1--      0.8056                 0.8073                 0.8534
 Alpha2 Fr= 1--      0.0230                 0.0221                 0.0157
 Beta2  Fr= 1--      2.3075                 2.3017                22.7312
 AlphaG Fr= 1--      8.8577                 8.2169               -20.1678
 Gamma2 Fr= 1--    -87.0079               -83.2628              -388.9643
 Delta2 Fr= 1--     -5.5048                -5.4845               -64.3544
 Raman1 Fr= 1--      68.746                 68.425                639.293
 ROA1   Fr= 1--   -8528.914              -8168.732             -39399.915
 CID1   Fr= 1--    -124.065               -119.382                -61.630
 Raman2 Fr= 1--      27.690                 27.621                272.775
 ROA2   Fr= 1--   -2044.152              -1954.431              -8820.308
 CID2   Fr= 1--     -73.823                -70.759                -32.336
 Raman3 Fr= 1--      55.380                 55.242                545.549
 ROA3   Fr= 1--   -8528.914              -8168.732             -39399.915
 CID3   Fr= 1--    -154.007               -147.873                -72.221
 RC180  Fr= 1--       0.611                  0.615                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00     0.01   0.00  -0.01    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.01   0.03   0.01
    16   6     0.00  -0.00  -0.00    -0.02   0.05   0.01    -0.02   0.03   0.00
    17   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    25   6    -0.02   0.05  -0.01     0.00  -0.00   0.00     0.03  -0.06   0.01
    26   6     0.03  -0.07   0.01    -0.00   0.00   0.00     0.02  -0.04   0.01
    27   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.04   0.04   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
    38   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    39   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    41   1     0.01   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.03   0.00
    42   1    -0.02  -0.33   0.24     0.00   0.00  -0.00     0.02   0.39  -0.29
    43   1     0.26  -0.27  -0.16    -0.00   0.00   0.00    -0.30   0.32   0.19
    44   1     0.02  -0.01   0.04    -0.00  -0.00  -0.00     0.01  -0.00   0.02
    45   1    -0.33   0.36   0.20     0.00  -0.00  -0.00    -0.20   0.22   0.12
    46   1     0.01   0.46  -0.38    -0.00  -0.00   0.00     0.01   0.29  -0.24
    47   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.06   0.04   0.05
    48   1    -0.07  -0.05   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   1    -0.03  -0.01  -0.09    -0.00  -0.00  -0.00     0.01   0.00   0.03
    50   1     0.00   0.00   0.00    -0.02  -0.33  -0.24    -0.01  -0.24  -0.18
    51   1    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.02   0.02   0.00
    52   1    -0.00   0.00  -0.00     0.26  -0.27   0.16     0.18  -0.20   0.12
    53   1     0.00   0.00   0.00     0.01   0.46   0.38    -0.00  -0.17  -0.15
    54   1    -0.00   0.00  -0.00    -0.33   0.37  -0.20     0.12  -0.14   0.08
    55   1     0.00  -0.00  -0.00     0.02  -0.01  -0.04    -0.01   0.00   0.01
    56   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    57   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.01   0.01   0.02
    58   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.02
    59   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.03   0.00
    60   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.00  -0.00  -0.00    -0.07  -0.05  -0.00    -0.00   0.00  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.04  -0.02   0.03
    63   1    -0.00  -0.00   0.00    -0.03  -0.01   0.09    -0.01  -0.00   0.02
                    169                    170                    171
                      A                      A                      A
 Frequencies --   3093.6524              3094.7449              3094.7591
 Red. masses --      1.1005                 1.1054                 1.1054
 Frc consts  --      6.2056                 6.2376                 6.2377
 IR Inten    --     67.4750                 5.5416                 2.4058
 RamAct Fr= 1--    140.6118                31.8606                69.3956
  Dep-P Fr= 1--      0.7497                 0.5502                 0.4907
  Dep-U Fr= 1--      0.8569                 0.7099                 0.6583
 Alpha2 Fr= 1--      0.0008                 0.1217                 0.3577
 Beta2  Fr= 1--     20.0824                 3.7694                 7.6140
 AlphaG Fr= 1--     -1.0268               -66.0782              -188.0952
 Gamma2 Fr= 1--    109.1394                65.5152              1209.1814
 Delta2 Fr= 1--     43.8898                -1.7481                 4.8827
 Raman1 Fr= 1--     562.447                127.442                277.582
 ROA1   Fr= 1--   11881.853               6233.519             116237.660
 CID1   Fr= 1--      21.125                 48.912                418.750
 Raman2 Fr= 1--     240.989                 45.233                 91.368
 ROA2   Fr= 1--    2268.227               1586.349              28981.293
 CID2   Fr= 1--       9.412                 35.071                317.194
 Raman3 Fr= 1--     481.977                 90.465                182.735
 ROA3   Fr= 1--   11881.853               6233.519             116237.660
 CID3   Fr= 1--      24.652                 68.905                636.098
 RC180  Fr= 1--       0.714                  0.420                  0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.02   0.02   0.02    -0.01  -0.00  -0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00    -0.07  -0.03  -0.03     0.02   0.01   0.01
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
    15   6     0.02  -0.04  -0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    16   6     0.03  -0.06  -0.01    -0.00   0.01   0.00     0.00  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.02   0.02  -0.02
    24   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01    -0.07  -0.03   0.03
    25   6     0.02  -0.03   0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    26   6     0.01  -0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
    27   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1     0.03   0.03   0.00     0.10   0.11   0.01     0.40   0.43   0.05
    37   1     0.02  -0.01  -0.02     0.11  -0.03  -0.11     0.44  -0.11  -0.43
    38   1    -0.00   0.00  -0.00    -0.03  -0.00  -0.01    -0.14  -0.01  -0.02
    39   1    -0.01  -0.01   0.02    -0.04  -0.05   0.08    -0.15  -0.20   0.30
    40   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    41   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
    42   1     0.01   0.24  -0.18    -0.00  -0.01   0.01    -0.00  -0.05   0.03
    43   1    -0.18   0.20   0.12     0.01  -0.01  -0.01     0.04  -0.04  -0.02
    44   1     0.01  -0.00   0.01    -0.00  -0.00  -0.01    -0.01  -0.01  -0.04
    45   1    -0.12   0.14   0.07     0.01  -0.01  -0.00     0.03  -0.03  -0.02
    46   1     0.00   0.18  -0.15    -0.00  -0.01   0.01    -0.00  -0.02   0.02
    47   1    -0.04   0.02   0.03    -0.00   0.00   0.00    -0.02   0.01   0.02
    48   1     0.00   0.00  -0.00    -0.02  -0.01   0.00    -0.07  -0.05   0.00
    49   1     0.01   0.00   0.02    -0.01  -0.00  -0.02    -0.02  -0.00  -0.06
    50   1     0.02   0.39   0.28    -0.00  -0.05  -0.04     0.00   0.01   0.01
    51   1    -0.03  -0.03  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    52   1    -0.30   0.32  -0.19     0.04  -0.04   0.02    -0.01   0.01  -0.01
    53   1     0.01   0.28   0.24    -0.00  -0.02  -0.02     0.00   0.00   0.00
    54   1    -0.20   0.22  -0.12     0.03  -0.04   0.02    -0.01   0.01  -0.00
    55   1     0.01  -0.00  -0.02    -0.01  -0.01   0.04     0.00   0.00  -0.01
    56   1    -0.00   0.00   0.00    -0.14  -0.01   0.02     0.03   0.00  -0.01
    57   1    -0.02  -0.02  -0.03    -0.15  -0.20  -0.30     0.04   0.05   0.08
    58   1     0.04  -0.01   0.04     0.44  -0.11   0.43    -0.11   0.03  -0.11
    59   1     0.04   0.05  -0.01     0.40   0.43  -0.05    -0.10  -0.11   0.01
    60   1     0.01  -0.01   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    61   1     0.00   0.00   0.00    -0.07  -0.05  -0.00     0.02   0.01   0.00
    62   1    -0.06   0.04  -0.05    -0.02   0.01  -0.02     0.01  -0.00   0.01
    63   1     0.01   0.00  -0.03    -0.02  -0.00   0.06     0.01   0.00  -0.02
                    172                    173                    174
                      A                      A                      A
 Frequencies --   3104.9284              3104.9963              3107.3770
 Red. masses --      1.1018                 1.1018                 1.1012
 Frc consts  --      6.2582                 6.2584                 6.2647
 IR Inten    --     30.7066                16.7525                 8.6717
 RamAct Fr= 1--     44.2558               134.1696                80.4173
  Dep-P Fr= 1--      0.6740                 0.6466                 0.6821
  Dep-U Fr= 1--      0.8052                 0.7853                 0.8110
 Alpha2 Fr= 1--      0.0596                 0.2497                 0.0962
 Beta2  Fr= 1--      5.9394                17.5616                10.8701
 AlphaG Fr= 1--     -1.1485               -14.9146                96.0905
 Gamma2 Fr= 1--    378.0656               305.1005               539.7931
 Delta2 Fr= 1--     39.7750                -6.2725               -23.1695
 Raman1 Fr= 1--     177.023                536.678                321.669
 ROA1   Fr= 1--   37567.093              29088.925              51078.716
 CID1   Fr= 1--     212.216                 54.202                158.793
 Raman2 Fr= 1--      71.272                210.740                130.441
 ROA2   Fr= 1--    8755.374               7372.592              13140.391
 CID2   Fr= 1--     122.844                 34.984                100.738
 Raman3 Fr= 1--     142.545                421.479                260.882
 ROA3   Fr= 1--   37567.093              29088.925              51078.716
 CID3   Fr= 1--     263.546                 69.016                195.793
 RC180  Fr= 1--       0.610                  0.571                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.06   0.03  -0.05     0.02   0.01  -0.02    -0.06   0.02  -0.07
    15   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
    16   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    27   6     0.02   0.01   0.02    -0.06  -0.03  -0.05    -0.00   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.00   0.00   0.00
    37   1    -0.01   0.00   0.01     0.03  -0.01  -0.03     0.00  -0.00  -0.00
    38   1     0.01   0.00   0.00    -0.03  -0.00  -0.00    -0.00  -0.00  -0.00
    39   1     0.01   0.01  -0.02    -0.03  -0.04   0.06    -0.00  -0.00   0.00
    40   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    41   1    -0.02  -0.01  -0.00     0.04   0.02   0.00    -0.00  -0.00  -0.00
    42   1     0.00   0.02  -0.01    -0.00  -0.06   0.04     0.00   0.00  -0.00
    43   1    -0.02   0.02   0.01     0.04  -0.05  -0.03    -0.00   0.00   0.00
    44   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.00   0.00   0.00
    45   1     0.01  -0.01  -0.00    -0.02   0.03   0.01    -0.00   0.00   0.00
    46   1    -0.00  -0.02   0.01     0.00   0.05  -0.04     0.00   0.00  -0.00
    47   1     0.01  -0.00  -0.00    -0.04   0.01   0.00     0.03  -0.02  -0.02
    48   1    -0.18  -0.12   0.01     0.50   0.35  -0.03     0.02   0.01   0.00
    49   1    -0.09  -0.02  -0.22     0.25   0.05   0.64    -0.01  -0.00  -0.01
    50   1     0.00   0.06   0.04     0.00   0.02   0.02     0.00   0.02   0.01
    51   1    -0.04  -0.02   0.00    -0.01  -0.00   0.00    -0.08  -0.04   0.00
    52   1    -0.04   0.05  -0.03    -0.01   0.02  -0.01    -0.04   0.05  -0.03
    53   1    -0.00  -0.05  -0.04    -0.00  -0.02  -0.02     0.00   0.04   0.03
    54   1     0.02  -0.03   0.01     0.01  -0.01   0.00    -0.03   0.03  -0.02
    55   1    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.02
    56   1     0.04   0.00  -0.00     0.01   0.00  -0.00    -0.02  -0.00   0.00
    57   1     0.03   0.04   0.06     0.01   0.01   0.02    -0.02  -0.03  -0.04
    58   1    -0.03   0.01  -0.03    -0.01   0.00  -0.01     0.01  -0.00   0.01
    59   1    -0.04  -0.04   0.01    -0.01  -0.01   0.00     0.01   0.01  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    61   1    -0.51  -0.36  -0.03    -0.18  -0.12  -0.01     0.30   0.22  -0.00
    62   1     0.01   0.01  -0.02     0.00   0.00  -0.00     0.57  -0.38   0.48
    63   1    -0.24  -0.05   0.63    -0.09  -0.02   0.22    -0.15  -0.02   0.32
                    175                    176                    177
                      A                      A                      A
 Frequencies --   3107.4617              3112.2185              3112.2990
 Red. masses --      1.1012                 1.0998                 1.0998
 Frc consts  --      6.2652                 6.2764                 6.2768
 IR Inten    --      9.0460                33.3902                 8.0729
 RamAct Fr= 1--     87.7666                32.5939                76.9010
  Dep-P Fr= 1--      0.6661                 0.7318                 0.7070
  Dep-U Fr= 1--      0.7996                 0.8451                 0.8283
 Alpha2 Fr= 1--      0.1310                 0.0102                 0.0574
 Beta2  Fr= 1--     11.6960                 4.5910                10.6167
 AlphaG Fr= 1--    128.1845                16.3261                81.4686
 Gamma2 Fr= 1--    331.2645               297.0073             -1617.5792
 Delta2 Fr= 1--    -59.9687                13.9262               -57.1839
 Raman1 Fr= 1--     351.066                130.376                307.604
 ROA1   Fr= 1--   29882.390              28958.334            -157117.483
 CID1   Fr= 1--      85.119                222.114               -510.778
 Raman2 Fr= 1--     140.351                 55.092                127.401
 ROA2   Fr= 1--    8430.097               7016.765             -38364.429
 CID2   Fr= 1--      60.064                127.364               -301.132
 Raman3 Fr= 1--     280.703                110.185                254.802
 ROA3   Fr= 1--   29882.390              28958.334            -157117.483
 CID3   Fr= 1--     106.456                262.817               -616.627
 RC180  Fr= 1--       0.599                  0.690                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9  29     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    15   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.03  -0.01  -0.01    -0.07  -0.03  -0.02
    17   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.00
    24   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    25   6     0.01  -0.00  -0.00    -0.07  -0.03   0.02     0.03   0.01  -0.01
    26   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6    -0.06   0.01   0.06    -0.00   0.00   0.01     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    32   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.01   0.01   0.00
    37   1     0.01  -0.00  -0.02    -0.05   0.01   0.04     0.02  -0.00  -0.02
    38   1    -0.02  -0.00  -0.00    -0.09  -0.00  -0.01     0.04   0.00   0.00
    39   1    -0.02  -0.03   0.04    -0.06  -0.09   0.13     0.03   0.03  -0.05
    40   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01  -0.00
    41   1    -0.08  -0.03  -0.00     0.75   0.31   0.02    -0.27  -0.11  -0.01
    42   1     0.00   0.01  -0.01    -0.01   0.25  -0.18     0.00  -0.09   0.07
    43   1    -0.04   0.05   0.03     0.14  -0.18  -0.09    -0.05   0.07   0.03
    44   1     0.01   0.01   0.02     0.02   0.02   0.05    -0.01  -0.01  -0.02
    45   1    -0.03   0.03   0.02    -0.01   0.01   0.01     0.00  -0.00  -0.00
    46   1     0.00   0.04  -0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    47   1     0.57  -0.38  -0.48     0.04  -0.03  -0.03    -0.02   0.01   0.01
    48   1     0.32   0.24   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1    -0.14  -0.02  -0.29    -0.02  -0.01  -0.06     0.01   0.00   0.02
    50   1    -0.00  -0.00  -0.00    -0.00   0.09   0.07    -0.01   0.25   0.18
    51   1     0.01   0.00  -0.00     0.28   0.11  -0.01     0.75   0.31  -0.02
    52   1     0.00  -0.00   0.00     0.05  -0.07   0.03     0.14  -0.18   0.09
    53   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    54   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    55   1    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.02   0.02  -0.05
    56   1     0.00   0.00  -0.00    -0.03  -0.00   0.00    -0.09  -0.00   0.01
    57   1     0.00   0.00   0.00    -0.02  -0.03  -0.04    -0.06  -0.09  -0.13
    58   1    -0.00   0.00  -0.00    -0.02   0.00  -0.02    -0.05   0.01  -0.05
    59   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.03  -0.04   0.00
    60   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    62   1    -0.03   0.02  -0.02     0.01  -0.01   0.01     0.04  -0.03   0.03
    63   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.02  -0.00   0.06
                    178                    179                    180
                      A                      A                      A
 Frequencies --   3115.5825              3115.6570              3128.1736
 Red. masses --      1.1035                 1.1035                 1.0883
 Frc consts  --      6.3113                 6.3115                 6.2748
 IR Inten    --     74.1376                33.3872                34.8870
 RamAct Fr= 1--     14.7910               218.2233                86.4737
  Dep-P Fr= 1--      0.7500                 0.7399                 0.1935
  Dep-U Fr= 1--      0.8571                 0.8505                 0.3243
 Alpha2 Fr= 1--      0.0000                 0.0376                 1.1945
 Beta2  Fr= 1--      2.1130                30.9328                 4.6743
 AlphaG Fr= 1--      0.0912              -115.2842               167.9987
 Gamma2 Fr= 1--   -690.0081              8074.1211              -603.6350
 Delta2 Fr= 1--     32.7899                34.6887                10.0123
 Raman1 Fr= 1--      59.164                872.893                345.895
 ROA1   Fr= 1--  -65191.500             776225.661             -57628.572
 CID1   Fr= 1--   -1101.875                889.256               -166.607
 Raman2 Fr= 1--      25.355                371.193                 56.091
 ROA2   Fr= 1--  -16822.514             193501.396             -14567.339
 CID2   Fr= 1--    -663.468                521.296               -259.708
 Raman3 Fr= 1--      50.711                742.386                112.182
 ROA3   Fr= 1--  -65191.500             776225.661             -57628.572
 CID3   Fr= 1--   -1285.553               1045.582               -513.704
 RC180  Fr= 1--       0.714                  0.701                 -0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03    -0.04  -0.02  -0.03     0.01   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.07   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.01
    16   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    17   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.02  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.04  -0.02   0.03     0.04   0.03  -0.03     0.00  -0.00   0.00
    24   6    -0.02  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00   0.00
    25   6    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6     0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    27   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    36   1     0.11   0.13   0.01    -0.13  -0.14  -0.02    -0.00  -0.00  -0.00
    37   1     0.15  -0.04  -0.15    -0.17   0.04   0.16     0.00   0.00  -0.00
    38   1     0.27   0.01   0.04    -0.30  -0.02  -0.04    -0.02  -0.00  -0.00
    39   1     0.19   0.25  -0.39    -0.21  -0.28   0.43     0.00   0.00  -0.00
    40   1    -0.02   0.03   0.01     0.02  -0.03  -0.01    -0.14   0.22   0.06
    41   1     0.12   0.05   0.00    -0.14  -0.06  -0.00    -0.00  -0.00  -0.00
    42   1    -0.00   0.04  -0.03     0.00  -0.05   0.04     0.00  -0.00   0.00
    43   1     0.02  -0.03  -0.01    -0.03   0.03   0.02    -0.00   0.00   0.00
    44   1    -0.04  -0.04  -0.11     0.04   0.04   0.12     0.00   0.00   0.01
    45   1     0.02  -0.02  -0.01    -0.02   0.02   0.01    -0.01   0.00   0.00
    46   1     0.00   0.03  -0.02    -0.00  -0.04   0.02    -0.00  -0.00   0.00
    47   1     0.02  -0.02  -0.02    -0.03   0.02   0.02    -0.00   0.00   0.00
    48   1     0.03   0.02  -0.00    -0.03  -0.02   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    50   1    -0.00   0.05   0.03    -0.00   0.05   0.03     0.00  -0.00  -0.00
    51   1     0.14   0.06  -0.00     0.13   0.05  -0.00    -0.02  -0.01   0.00
    52   1     0.03  -0.03   0.02     0.02  -0.03   0.02    -0.02   0.02  -0.01
    53   1     0.00   0.03   0.02     0.00   0.03   0.02    -0.00  -0.01  -0.01
    54   1     0.02  -0.02   0.01     0.02  -0.02   0.01    -0.02   0.02  -0.01
    55   1    -0.04  -0.04   0.12    -0.04  -0.04   0.11     0.02   0.02  -0.05
    56   1     0.31   0.02  -0.04     0.27   0.01  -0.04    -0.08  -0.01   0.01
    57   1     0.21   0.28   0.43     0.19   0.25   0.38     0.00   0.00   0.01
    58   1     0.17  -0.04   0.16     0.15  -0.04   0.15    -0.00   0.00  -0.00
    59   1     0.13   0.14  -0.02     0.11   0.13  -0.01    -0.01  -0.01   0.00
    60   1    -0.02   0.03  -0.01    -0.02   0.03  -0.01    -0.50   0.78  -0.20
    61   1     0.03   0.02   0.00     0.03   0.02   0.00    -0.01  -0.00  -0.00
    62   1     0.02  -0.02   0.02     0.02  -0.02   0.02    -0.01   0.00  -0.01
    63   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
                    181                    182                    183
                      A                      A                      A
 Frequencies --   3128.2902              3132.7690              3132.8393
 Red. masses --      1.0884                 1.0959                 1.0959
 Frc consts  --      6.2753                 6.3371                 6.3373
 IR Inten    --     12.4325                22.4453                25.1824
 RamAct Fr= 1--    267.1927                79.2088                70.0393
  Dep-P Fr= 1--      0.1800                 0.6001                 0.4901
  Dep-U Fr= 1--      0.3051                 0.7501                 0.6578
 Alpha2 Fr= 1--      3.8240                 0.2198                 0.3620
 Beta2  Fr= 1--     13.5874                 9.9023                 7.6783
 AlphaG Fr= 1--    547.5541               -30.8124               -51.2083
 Gamma2 Fr= 1--  -1680.5394              -474.7362              -206.5642
 Delta2 Fr= 1--    -29.4209                -5.1474                 0.9258
 Raman1 Fr= 1--    1068.771                316.835                280.157
 ROA1   Fr= 1-- -162273.251             -45739.389             -19800.538
 CID1   Fr= 1--    -151.832               -144.363                -70.677
 Raman2 Fr= 1--     163.048                118.827                 92.139
 ROA2   Fr= 1--  -40097.578             -11352.488              -4964.947
 CID2   Fr= 1--    -245.924                -95.538                -53.885
 Raman3 Fr= 1--     326.097                237.655                184.278
 ROA3   Fr= 1-- -162273.251             -45739.389             -19800.538
 CID3   Fr= 1--    -497.623               -192.462               -107.449
 RC180  Fr= 1--      -0.390                  0.500                  0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02   0.01   0.01     0.00   0.00   0.00
     2   6    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00     0.02   0.02  -0.08     0.00   0.00  -0.01
    16   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   6     0.01   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    24   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.02  -0.02  -0.08
    27   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   9     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.08   0.01
    37   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.04  -0.01  -0.04
    38   1    -0.08  -0.01  -0.01    -0.02  -0.00  -0.00     0.15   0.01   0.02
    39   1     0.00   0.00  -0.01    -0.00  -0.01   0.01     0.04   0.05  -0.08
    40   1    -0.50   0.78   0.20    -0.00   0.00   0.00     0.03  -0.04  -0.01
    41   1    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    42   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    43   1    -0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    44   1     0.02   0.02   0.05    -0.04  -0.03  -0.10     0.31   0.28   0.81
    45   1    -0.02   0.02   0.01     0.02  -0.02  -0.01    -0.13   0.14   0.06
    46   1    -0.00  -0.01   0.01     0.00   0.02  -0.02    -0.00  -0.19   0.14
    47   1    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
    48   1    -0.01  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    50   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.00   0.00
    51   1     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    52   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   1     0.00   0.00   0.00     0.00   0.19   0.14     0.00   0.02   0.02
    54   1     0.01  -0.01   0.00     0.13  -0.14   0.06     0.02  -0.02   0.01
    55   1    -0.01  -0.01   0.02    -0.32  -0.28   0.81    -0.04  -0.03   0.10
    56   1     0.02   0.00  -0.00    -0.15  -0.01   0.02    -0.02  -0.00   0.00
    57   1    -0.00  -0.00  -0.00    -0.04  -0.05  -0.08    -0.00  -0.01  -0.01
    58   1     0.00  -0.00   0.00    -0.04   0.01  -0.04    -0.01   0.00  -0.01
    59   1     0.00   0.00  -0.00    -0.08  -0.08   0.01    -0.01  -0.01   0.00
    60   1     0.14  -0.22   0.06    -0.02   0.04  -0.01    -0.00   0.01  -0.00
    61   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    62   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    63   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number 29 and mass  62.92960
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  9 and mass  18.99840
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  8 and mass  15.99491
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  9 and mass  18.99840
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  9 and mass  18.99840
 Atom    33 has atomic number  9 and mass  18.99840
 Atom    34 has atomic number  9 and mass  18.99840
 Atom    35 has atomic number  9 and mass  18.99840
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Atom    48 has atomic number  1 and mass   1.00783
 Atom    49 has atomic number  1 and mass   1.00783
 Atom    50 has atomic number  1 and mass   1.00783
 Atom    51 has atomic number  1 and mass   1.00783
 Atom    52 has atomic number  1 and mass   1.00783
 Atom    53 has atomic number  1 and mass   1.00783
 Atom    54 has atomic number  1 and mass   1.00783
 Atom    55 has atomic number  1 and mass   1.00783
 Atom    56 has atomic number  1 and mass   1.00783
 Atom    57 has atomic number  1 and mass   1.00783
 Atom    58 has atomic number  1 and mass   1.00783
 Atom    59 has atomic number  1 and mass   1.00783
 Atom    60 has atomic number  1 and mass   1.00783
 Atom    61 has atomic number  1 and mass   1.00783
 Atom    62 has atomic number  1 and mass   1.00783
 Atom    63 has atomic number  1 and mass   1.00783
 Molecular mass:   557.11878 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  9988.68466********************
           X            0.99872   0.05048   0.00000
           Y           -0.05048   0.99872  -0.00000
           Z           -0.00000  -0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00867     0.00313     0.00254
 Rotational constants (GHZ):           0.18068     0.06517     0.05287
 Zero-point vibrational energy    1287395.3 (Joules/Mol)
                                  307.69487 (Kcal/Mol)
 Warning -- explicit consideration of  61 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     11.19    19.28    41.52    48.33    57.87
          (Kelvin)             66.07    74.10    88.90   135.81   143.67
                              162.11   167.21   168.23   192.21   203.40
                              232.90   243.30   248.24   272.76   273.12
                              297.95   306.19   312.15   321.87   328.24
                              328.96   335.16   340.46   362.38   367.88
                              381.15   388.77   396.44   410.95   416.14
                              444.28   445.07   463.84   464.39   531.23
                              551.37   566.93   567.78   612.31   642.10
                              643.09   655.36   705.82   721.32   723.48
                              745.31   746.02   754.08   767.24   770.14
                              816.04   821.29   853.56   855.22   873.63
                              892.00   943.47   946.09  1001.55  1008.68
                             1039.56  1040.44  1076.79  1077.08  1091.04
                             1094.06  1180.40  1182.92  1200.47  1200.79
                             1246.11  1246.27  1271.32  1271.60  1301.54
                             1301.66  1344.39  1344.43  1372.44  1372.45
                             1383.20  1383.23  1408.19  1408.27  1470.69
                             1470.72  1482.41  1482.56  1562.01  1562.83
                             1597.54  1597.59  1614.16  1615.22  1631.25
                             1631.54  1665.10  1665.36  1690.51  1690.91
                             1699.20  1699.54  1733.31  1736.33  1745.20
                             1745.71  1767.58  1768.35  1797.64  1800.97
                             1805.11  1806.80  1813.90  1814.33  1864.15
                             1865.74  1892.96  1894.03  1914.00  1914.14
                             1950.99  1952.19  2026.63  2026.79  2041.51
                             2041.54  2056.63  2056.80  2098.31  2117.18
                             2136.69  2136.75  2137.56  2137.61  2148.93
                             2149.05  2157.65  2157.85  2162.62  2162.75
                             2173.20  2173.28  2185.62  2185.67  2193.75
                             2193.79  2226.80  2243.97  2399.29  2419.89
                             4367.96  4367.99  4374.62  4374.67  4379.15
                             4379.31  4405.93  4405.99  4419.38  4419.56
                             4441.62  4441.64  4451.02  4451.08  4452.65
                             4452.67  4467.30  4467.40  4470.82  4470.94
                             4477.79  4477.90  4482.63  4482.74  4500.74
                             4500.91  4507.36  4507.46
 
 Zero-point correction=                           0.490343 (Hartree/Particle)
 Thermal correction to Energy=                    0.524989
 Thermal correction to Enthalpy=                  0.525933
 Thermal correction to Gibbs Free Energy=         0.421795
 Sum of electronic and zero-point Energies=          -3472.400674
 Sum of electronic and thermal Energies=             -3472.366029
 Sum of electronic and thermal Enthalpies=           -3472.365084
 Sum of electronic and thermal Free Energies=        -3472.469223
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  329.435            132.643            219.177
 Electronic               0.000              0.000              1.377
 Translational            0.889              2.981             44.838
 Rotational               0.889              2.981             37.488
 Vibrational            327.658            126.681            135.474
 Vibration     1          0.593              1.987              8.510
 Vibration     2          0.593              1.987              7.430
 Vibration     3          0.593              1.984              5.906
 Vibration     4          0.594              1.983              5.605
 Vibration     5          0.594              1.981              5.248
 Vibration     6          0.595              1.979              4.986
 Vibration     7          0.596              1.977              4.759
 Vibration     8          0.597              1.973              4.399
 Vibration     9          0.603              1.953              3.567
 Vibration    10          0.604              1.949              3.457
 Vibration    11          0.607              1.939              3.222
 Vibration    12          0.608              1.936              3.162
 Vibration    13          0.608              1.935              3.151
 Vibration    14          0.613              1.920              2.894
 Vibration    15          0.615              1.912              2.785
 Vibration    16          0.622              1.889              2.528
 Vibration    17          0.625              1.881              2.445
 Vibration    18          0.626              1.876              2.408
 Vibration    19          0.633              1.854              2.232
 Vibration    20          0.633              1.854              2.230
 Vibration    21          0.641              1.830              2.069
 Vibration    22          0.644              1.821              2.019
 Vibration    23          0.646              1.815              1.984
 Vibration    24          0.649              1.805              1.929
 Vibration    25          0.651              1.798              1.894
 Vibration    26          0.651              1.797              1.890
 Vibration    27          0.654              1.791              1.856
 Vibration    28          0.656              1.785              1.828
 Vibration    29          0.664              1.760              1.717
 Vibration    30          0.666              1.753              1.691
 Vibration    31          0.671              1.737              1.629
 Vibration    32          0.674              1.728              1.595
 Vibration    33          0.677              1.719              1.561
 Vibration    34          0.683              1.700              1.500
 Vibration    35          0.686              1.694              1.478
 Vibration    36          0.698              1.657              1.369
 Vibration    37          0.699              1.656              1.366
 Vibration    38          0.707              1.631              1.298
 Vibration    39          0.708              1.630              1.296
 Vibration    40          0.742              1.535              1.083
 Vibration    41          0.752              1.506              1.026
 Vibration    42          0.761              1.483              0.985
 Vibration    43          0.762              1.482              0.983
 Vibration    44          0.787              1.415              0.873
 Vibration    45          0.806              1.369              0.807
 Vibration    46          0.806              1.368              0.805
 Vibration    47          0.814              1.349              0.779
 Vibration    48          0.846              1.271              0.682
 Vibration    49          0.857              1.247              0.655
 Vibration    50          0.858              1.244              0.651
 Vibration    51          0.873              1.210              0.615
 Vibration    52          0.874              1.209              0.613
 Vibration    53          0.879              1.197              0.600
 Vibration    54          0.888              1.176              0.580
 Vibration    55          0.890              1.172              0.576
 Vibration    56          0.923              1.102              0.510
 Vibration    57          0.927              1.094              0.503
 Vibration    58          0.951              1.046              0.461
 Vibration    59          0.952              1.044              0.459
 Vibration    60          0.966              1.017              0.437
 Vibration    61          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.973115-194       -194.011836       -446.728761
 Total V=0       0.338908D+32         31.530082         72.600697
 Vib (Bot)       0.270639-210       -210.567609       -484.849838
 Vib (Bot)    1  0.266391D+02          1.425520          3.282381
 Vib (Bot)    2  0.154648D+02          1.189343          2.738564
 Vib (Bot)    3  0.717443D+01          0.855788          1.970524
 Vib (Bot)    4  0.616249D+01          0.789756          1.818481
 Vib (Bot)    5  0.514436D+01          0.711331          1.637900
 Vib (Bot)    6  0.450350D+01          0.653550          1.504854
 Vib (Bot)    7  0.401348D+01          0.603521          1.389659
 Vib (Bot)    8  0.334155D+01          0.523948          1.206434
 Vib (Bot)    9  0.217642D+01          0.337743          0.777682
 Vib (Bot)   10  0.205529D+01          0.312873          0.720416
 Vib (Bot)   11  0.181669D+01          0.259281          0.597016
 Vib (Bot)   12  0.175991D+01          0.245490          0.565261
 Vib (Bot)   13  0.174894D+01          0.242775          0.559010
 Vib (Bot)   14  0.152459D+01          0.183154          0.421728
 Vib (Bot)   15  0.143777D+01          0.157689          0.363093
 Vib (Bot)   16  0.124816D+01          0.096271          0.221672
 Vib (Bot)   17  0.119209D+01          0.076308          0.175706
 Vib (Bot)   18  0.116703D+01          0.067083          0.154464
 Vib (Bot)   19  0.105589D+01          0.023619          0.054386
 Vib (Bot)   20  0.105440D+01          0.023006          0.052974
 Vib (Bot)   21  0.960208D+00         -0.017635         -0.040606
 Vib (Bot)   22  0.932220D+00         -0.030482         -0.070186
 Vib (Bot)   23  0.912882D+00         -0.039585         -0.091149
 Vib (Bot)   24  0.882800D+00         -0.054138         -0.124657
 Vib (Bot)   25  0.864020D+00         -0.063476         -0.146159
 Vib (Bot)   26  0.861955D+00         -0.064516         -0.148552
 Vib (Bot)   27  0.844409D+00         -0.073447         -0.169119
 Vib (Bot)   28  0.829908D+00         -0.080970         -0.186441
 Vib (Bot)   29  0.774217D+00         -0.111138         -0.255904
 Vib (Bot)   30  0.761236D+00         -0.118481         -0.272812
 Vib (Bot)   31  0.731399D+00         -0.135846         -0.312796
 Vib (Bot)   32  0.715162D+00         -0.145595         -0.335246
 Vib (Bot)   33  0.699387D+00         -0.155282         -0.357551
 Vib (Bot)   34  0.671115D+00         -0.173203         -0.398815
 Vib (Bot)   35  0.661445D+00         -0.179506         -0.413329
 Vib (Bot)   36  0.612792D+00         -0.212687         -0.489730
 Vib (Bot)   37  0.611521D+00         -0.213588         -0.491806
 Vib (Bot)   38  0.582272D+00         -0.234874         -0.540818
 Vib (Bot)   39  0.581444D+00         -0.235492         -0.542241
 Vib (Bot)   40  0.493352D+00         -0.306843         -0.706531
 Vib (Bot)   41  0.470743D+00         -0.327216         -0.753442
 Vib (Bot)   42  0.454304D+00         -0.342654         -0.788990
 Vib (Bot)   43  0.453428D+00         -0.343492         -0.790918
 Vib (Bot)   44  0.410826D+00         -0.386342         -0.889585
 Vib (Bot)   45  0.385412D+00         -0.414075         -0.953442
 Vib (Bot)   46  0.384606D+00         -0.414984         -0.955537
 Vib (Bot)   47  0.374795D+00         -0.426206         -0.981376
 Vib (Bot)   48  0.337821D+00         -0.471313         -1.085239
 Vib (Bot)   49  0.327434D+00         -0.484876         -1.116469
 Vib (Bot)   50  0.326024D+00         -0.486751         -1.120785
 Vib (Bot)   51  0.312164D+00         -0.505617         -1.164227
 Vib (Bot)   52  0.311728D+00         -0.506224         -1.165624
 Vib (Bot)   53  0.306812D+00         -0.513127         -1.181519
 Vib (Bot)   54  0.298995D+00         -0.524335         -1.207327
 Vib (Bot)   55  0.297310D+00         -0.526790         -1.212980
 Vib (Bot)   56  0.272111D+00         -0.565255         -1.301547
 Vib (Bot)   57  0.269400D+00         -0.569602         -1.311556
 Vib (Bot)   58  0.253438D+00         -0.596128         -1.372636
 Vib (Bot)   59  0.252649D+00         -0.597483         -1.375755
 Vib (Bot)   60  0.244088D+00         -0.612453         -1.410225
 Vib (Bot)   61  0.235892D+00         -0.627287         -1.444381
 Vib (V=0)       0.942560D+15         14.974309         34.479621
 Vib (V=0)    1  0.271438D+02          1.433671          3.301149
 Vib (V=0)    2  0.159728D+02          1.203382          2.770890
 Vib (V=0)    3  0.769184D+01          0.886030          2.040159
 Vib (V=0)    4  0.668274D+01          0.824955          1.899528
 Vib (V=0)    5  0.566860D+01          0.753476          1.734942
 Vib (V=0)    6  0.503117D+01          0.701669          1.615652
 Vib (V=0)    7  0.454450D+01          0.657487          1.513919
 Vib (V=0)    8  0.387875D+01          0.588692          1.355513
 Vib (V=0)    9  0.273312D+01          0.436658          1.005443
 Vib (V=0)   10  0.261523D+01          0.417510          0.961353
 Vib (V=0)   11  0.238424D+01          0.377350          0.868881
 Vib (V=0)   12  0.232955D+01          0.367273          0.845677
 Vib (V=0)   13  0.231901D+01          0.365302          0.841140
 Vib (V=0)   14  0.210449D+01          0.323147          0.744073
 Vib (V=0)   15  0.202223D+01          0.305830          0.704201
 Vib (V=0)   16  0.184458D+01          0.265899          0.612254
 Vib (V=0)   17  0.179270D+01          0.253508          0.583723
 Vib (V=0)   18  0.176963D+01          0.247883          0.570772
 Vib (V=0)   19  0.166829D+01          0.222272          0.511801
 Vib (V=0)   20  0.166695D+01          0.221922          0.510994
 Vib (V=0)   21  0.158259D+01          0.199368          0.459062
 Vib (V=0)   22  0.155784D+01          0.192524          0.443303
 Vib (V=0)   23  0.154084D+01          0.187758          0.432329
 Vib (V=0)   24  0.151456D+01          0.180287          0.415126
 Vib (V=0)   25  0.149826D+01          0.175588          0.404307
 Vib (V=0)   26  0.149648D+01          0.175070          0.403114
 Vib (V=0)   27  0.148134D+01          0.170654          0.392946
 Vib (V=0)   28  0.146889D+01          0.166989          0.384507
 Vib (V=0)   29  0.142164D+01          0.152788          0.351808
 Vib (V=0)   30  0.141076D+01          0.149452          0.344127
 Vib (V=0)   31  0.138597D+01          0.141754          0.326401
 Vib (V=0)   32  0.137261D+01          0.137549          0.316718
 Vib (V=0)   33  0.135973D+01          0.133454          0.307289
 Vib (V=0)   34  0.133690D+01          0.126098          0.290351
 Vib (V=0)   35  0.132916D+01          0.123578          0.284548
 Vib (V=0)   36  0.129089D+01          0.110891          0.255335
 Vib (V=0)   37  0.128991D+01          0.110559          0.254573
 Vib (V=0)   38  0.126749D+01          0.102944          0.237038
 Vib (V=0)   39  0.126686D+01          0.102729          0.236543
 Vib (V=0)   40  0.120242D+01          0.080057          0.184338
 Vib (V=0)   41  0.118673D+01          0.074352          0.171202
 Vib (V=0)   42  0.117557D+01          0.070248          0.161751
 Vib (V=0)   43  0.117498D+01          0.070030          0.161251
 Vib (V=0)   44  0.114713D+01          0.059613          0.137264
 Vib (V=0)   45  0.113130D+01          0.053579          0.123369
 Vib (V=0)   46  0.113081D+01          0.053390          0.122934
 Vib (V=0)   47  0.112488D+01          0.051105          0.117674
 Vib (V=0)   48  0.110343D+01          0.042743          0.098420
 Vib (V=0)   49  0.109767D+01          0.040473          0.093192
 Vib (V=0)   50  0.109690D+01          0.040168          0.092489
 Vib (V=0)   51  0.108945D+01          0.037206          0.085669
 Vib (V=0)   52  0.108922D+01          0.037114          0.085457
 Vib (V=0)   53  0.108663D+01          0.036081          0.083080
 Vib (V=0)   54  0.108258D+01          0.034460          0.079346
 Vib (V=0)   55  0.108172D+01          0.034113          0.078548
 Vib (V=0)   56  0.106925D+01          0.029079          0.066956
 Vib (V=0)   57  0.106796D+01          0.028554          0.065749
 Vib (V=0)   58  0.106056D+01          0.025536          0.058800
 Vib (V=0)   59  0.106021D+01          0.025391          0.058464
 Vib (V=0)   60  0.105640D+01          0.023828          0.054865
 Vib (V=0)   61  0.105285D+01          0.022367          0.051502
 Electronic      0.200000D+01          0.301030          0.693147
 Translational   0.516863D+09          8.713376         20.063289
 Rotational      0.347830D+08          7.541368         17.364641
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007018    0.000025545   -0.000029899
      2        6           0.000019616    0.000000012    0.000011579
      3        6          -0.000012171    0.000012788    0.000002471
      4        6          -0.000012525    0.000000822   -0.000004275
      5        6           0.000003012   -0.000018180    0.000018963
      6        6          -0.000009664   -0.000021720    0.000007303
      7        6           0.000046203    0.000045895    0.000021747
      8        8           0.000008163    0.000006475    0.000003022
      9       29          -0.000013591    0.000006867   -0.000003870
     10        8           0.000007086   -0.000005854   -0.000006343
     11        6           0.000000855   -0.000008847   -0.000004225
     12        6          -0.000004459   -0.000005579    0.000005324
     13        9           0.000005075    0.000003561    0.000005250
     14        6           0.000010323   -0.000010859   -0.000013835
     15        6          -0.000008818   -0.000014399   -0.000015120
     16        6          -0.000008396    0.000005057    0.000002058
     17        8           0.000000253   -0.000001503   -0.000000038
     18        6           0.000008945    0.000010944   -0.000007448
     19        6          -0.000008639    0.000014764   -0.000024171
     20        6          -0.000063661   -0.000029029    0.000041858
     21        6           0.000016492   -0.000001263   -0.000018688
     22        6          -0.000001210   -0.000010534    0.000010944
     23        6          -0.000000318   -0.000020940   -0.000005886
     24        6           0.000005109    0.000015959    0.000001782
     25        6           0.000007816    0.000004765    0.000006723
     26        6           0.000008047    0.000019992   -0.000014156
     27        6           0.000000585    0.000002025    0.000000457
     28        6           0.000009173   -0.000006560   -0.000005572
     29        6           0.000008166    0.000005796    0.000002185
     30        9          -0.000009693   -0.000004589    0.000007224
     31        8           0.000003930   -0.000008862    0.000001887
     32        9          -0.000009771   -0.000001854   -0.000008217
     33        9          -0.000007992   -0.000004025   -0.000006191
     34        9          -0.000000695    0.000003365   -0.000005930
     35        9           0.000004409    0.000008044   -0.000002848
     36        1           0.000001014   -0.000004542    0.000018316
     37        1           0.000000242    0.000000864    0.000000415
     38        1           0.000000981    0.000000217    0.000008029
     39        1          -0.000003235    0.000011270    0.000004033
     40        1           0.000006643    0.000022186   -0.000004427
     41        1          -0.000000351    0.000004301   -0.000010720
     42        1           0.000002274   -0.000001022   -0.000016082
     43        1          -0.000000530   -0.000003349   -0.000001086
     44        1           0.000007401    0.000007212    0.000006876
     45        1           0.000009039    0.000002340   -0.000004436
     46        1           0.000002984   -0.000006544   -0.000001427
     47        1          -0.000000008    0.000001814   -0.000003067
     48        1          -0.000005507   -0.000022997    0.000005860
     49        1           0.000013476   -0.000013260    0.000010627
     50        1           0.000003154   -0.000009928   -0.000002268
     51        1          -0.000001584    0.000001961    0.000004241
     52        1           0.000000913    0.000002247   -0.000002296
     53        1          -0.000000358    0.000003558   -0.000003546
     54        1          -0.000002902   -0.000004101   -0.000000336
     55        1          -0.000024121   -0.000002750    0.000007105
     56        1          -0.000002878   -0.000006679   -0.000002635
     57        1           0.000005118   -0.000002410    0.000000233
     58        1           0.000001513    0.000001133   -0.000004478
     59        1           0.000001705   -0.000006738    0.000003842
     60        1          -0.000000621   -0.000010437   -0.000007037
     61        1          -0.000009592    0.000011347    0.000007362
     62        1           0.000000278   -0.000004139   -0.000000949
     63        1          -0.000013719    0.000010367    0.000013783
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063661 RMS     0.000011827
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.515101D+03  0.378418D+02 -0.876861D-01
      2   0.378418D+02  0.347109D+03 -0.457976D-02
      3  -0.876861D-01 -0.457976D-02  0.258405D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.688604D+02  0.234309D+02  0.989673D-01
      2  -0.314414D+03  0.946150D+01 -0.240114D+00
      3  -0.510875D+02 -0.166655D+01  0.607214D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.396882D+00  0.449569D-01 -0.652715D+01
      2  -0.346642D+00  0.359598D-02 -0.108271D+03
      3  -0.502393D-01 -0.485529D-01  0.114798D+03
      4  -0.121584D+01 -0.105277D+00  0.102747D+03
      5   0.158762D+03  0.920968D+02  0.415102D-01
      6   0.544104D+02  0.481681D+02 -0.155465D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.102561D+02 -0.849246D+00  0.313878D+01  0.946987D+00  0.216104D+01
      2  -0.849246D+00  0.914803D+00  0.883583D+00  0.216104D+01 -0.935650D+00
      3   0.313878D+01  0.883583D+00  0.198853D+01 -0.130684D+01  0.292334D+00
                 6             7             8             9            10 
      1  -0.130684D+01 -0.477619D+01 -0.105703D+01  0.474295D+01 -0.143784D+02
      2   0.292334D+00 -0.105703D+01 -0.109420D+01  0.384648D+01 -0.415093D+00
      3   0.405056D+01  0.474295D+01  0.384648D+01  0.606981D+00  0.119356D+01
                11            12            13            14            15 
      1  -0.415093D+00  0.119356D+01  0.721709D+01 -0.436029D+01 -0.259803D+01
      2  -0.389214D+01  0.816776D+00 -0.436029D+01 -0.646316D+00 -0.212677D+01
      3   0.816776D+00 -0.484369D+01 -0.259803D+01 -0.212677D+01 -0.906999D+01
                16            17            18            19            20 
      1   0.279599D+01  0.116036D+01 -0.949142D+01  0.629013D+02  0.848930D+01
      2   0.116036D+01 -0.368982D+00 -0.336203D+01  0.848930D+01  0.113885D+02
      3  -0.949142D+01 -0.336203D+01 -0.333951D+01 -0.601786D+01  0.113334D+01
                21            22            23            24            25 
      1  -0.601786D+01  0.191249D+01  0.104127D+02  0.269223D+02  0.353788D+02
      2   0.113334D+01  0.104127D+02  0.114274D+02  0.235973D+01  0.318653D+01
      3   0.159278D+01  0.269223D+02  0.235973D+01 -0.273503D+02  0.742699D+00
                26            27            28            29            30 
      1   0.318653D+01  0.742699D+00 -0.117842D+03 -0.496151D+01 -0.141358D+02
      2   0.164705D+01  0.294398D+01 -0.496151D+01  0.507428D+01 -0.289944D+01
      3   0.294398D+01  0.178316D+01 -0.141358D+02 -0.289944D+01 -0.507762D+00
                31            32            33            34            35 
      1   0.385867D+02 -0.280795D+01 -0.765703D+02  0.276065D+02 -0.616328D+00
      2  -0.280795D+01  0.538292D+01 -0.599568D+01 -0.616328D+00  0.958795D+00
      3  -0.765703D+02 -0.599568D+01  0.128455D+03 -0.171409D+02  0.161923D+01
                36            37            38            39            40 
      1  -0.171409D+02  0.439911D+02  0.792170D+01  0.323732D+01  0.523223D+02
      2   0.161923D+01  0.792170D+01  0.821294D+00  0.325898D+01  0.111456D+02
      3   0.331436D+02  0.323732D+01  0.325898D+01  0.718005D+01  0.141186D+02
                41            42            43            44            45 
      1   0.111456D+02  0.141186D+02 -0.493362D+02  0.209173D+01  0.232581D+01
      2   0.383740D+00  0.861707D-01  0.209173D+01 -0.349340D+00 -0.180607D+01
      3   0.861707D-01 -0.150354D+02  0.232581D+01 -0.180607D+01  0.995279D+01
                46            47            48            49            50 
      1   0.635293D+01 -0.407602D+01 -0.213117D+01 -0.262389D+01 -0.646290D+01
      2  -0.407602D+01 -0.416773D+01 -0.735161D+00 -0.646290D+01 -0.354065D+00
      3  -0.213117D+01 -0.735161D+00  0.527601D+01 -0.222404D+01  0.209138D+01
                51            52            53            54            55 
      1  -0.222404D+01 -0.161432D+01 -0.346938D+01  0.484691D+01 -0.466635D+01
      2   0.209138D+01 -0.346938D+01 -0.591264D+00 -0.397640D+00 -0.667129D+01
      3   0.118250D+01  0.484691D+01 -0.397640D+00  0.369375D+01  0.419254D+01
                56            57            58            59            60 
      1  -0.667129D+01  0.419254D+01 -0.392027D+02 -0.345967D+01 -0.184638D+01
      2  -0.134243D+00 -0.148111D+01 -0.345967D+01  0.100195D+01  0.310574D+01
      3  -0.148111D+01  0.772102D+01 -0.184638D+01  0.310574D+01  0.160376D+02
                61            62            63            64            65 
      1   0.137402D+02 -0.749835D-01  0.949948D+01  0.323983D+03  0.244614D+02
      2  -0.749835D-01  0.400273D+01  0.317468D+01  0.244614D+02 -0.430796D+01
      3   0.949948D+01  0.317468D+01 -0.663959D+01 -0.950444D+02 -0.504284D+01
                66            67            68            69            70 
      1  -0.950444D+02  0.139640D+03  0.180976D+02  0.462641D+02  0.146529D+03
      2  -0.504284D+01  0.180976D+02  0.709399D+01  0.624913D+01  0.115206D+02
      3   0.394457D+03  0.462641D+02  0.624913D+01  0.282814D+03 -0.294387D+01
                71            72            73            74            75 
      1   0.115206D+02 -0.294387D+01 -0.887957D+01 -0.161607D+01  0.536634D+02
      2   0.827135D+00  0.205719D+01 -0.161607D+01 -0.867757D-01  0.174613D+02
      3   0.205719D+01  0.415539D+02  0.536634D+02  0.174613D+02  0.503535D+00
                76            77            78            79            80 
      1   0.126037D+02  0.119019D+00 -0.876130D+02 -0.232428D+03 -0.159662D+02
      2   0.119019D+00 -0.163931D-01  0.104717D+01 -0.159662D+02 -0.563152D+00
      3  -0.876130D+02  0.104717D+01  0.955433D+00 -0.981023D+01 -0.403713D+00
                81            82            83            84            85 
      1  -0.981023D+01  0.249019D+03  0.525918D+01  0.231124D+02 -0.152648D+03
      2  -0.403713D+00  0.525918D+01 -0.245327D+01 -0.308712D+01 -0.465722D+01
      3   0.124245D+03  0.231124D+02 -0.308712D+01  0.300189D+03  0.572047D+02
                86            87            88            89            90 
      1  -0.465722D+01  0.572047D+02 -0.210116D+02 -0.245352D+01  0.223025D+02
      2  -0.387355D+01 -0.691162D+01 -0.245352D+01 -0.367300D+00  0.526496D-01
      3  -0.691162D+01 -0.290501D+03  0.223025D+02  0.526496D-01 -0.145525D+03
                91            92            93            94            95 
      1  -0.123871D+03 -0.290323D+01 -0.121581D+01 -0.691214D+02 -0.248929D+02
      2  -0.290323D+01 -0.363320D+01 -0.323960D+01 -0.248929D+02 -0.235487D+02
      3  -0.121581D+01 -0.323960D+01 -0.812126D+01 -0.186597D+02  0.300153D+01
                96            97            98            99           100 
      1  -0.186597D+02 -0.268032D+02 -0.409162D+01 -0.462466D+01  0.184024D+02
      2   0.300153D+01 -0.409162D+01 -0.289787D+01 -0.406112D+01 -0.591785D+01
      3  -0.103491D+03 -0.462466D+01 -0.406112D+01  0.103997D+02  0.245043D+01
               101           102           103           104           105 
      1  -0.591785D+01  0.245043D+01 -0.702529D+01  0.145321D+02  0.800137D+01
      2  -0.423686D+01 -0.854875D-01  0.145321D+02  0.417636D+01 -0.143405D+01
      3  -0.854875D-01  0.172229D+02  0.800137D+01 -0.143405D+01  0.535118D+01
               106           107           108           109           110 
      1  -0.214534D+01  0.269977D+01 -0.364694D+01  0.725591D+01  0.157120D+01
      2   0.269977D+01 -0.112864D+01  0.586265D-02  0.157120D+01  0.447378D+01
      3  -0.364694D+01  0.586265D-02 -0.139185D+01  0.778874D-01 -0.612460D+00
               111           112           113           114           115 
      1   0.778874D-01 -0.752835D+01 -0.120418D+01  0.616660D+00  0.743777D+01
      2  -0.612460D+00 -0.120418D+01 -0.483531D+01  0.178215D+01  0.116368D+01
      3   0.100461D+02  0.616660D+00  0.178215D+01 -0.124485D+02  0.492946D+00
               116           117           118           119           120 
      1   0.116368D+01  0.492946D+00 -0.115100D+02 -0.606565D+01  0.135063D+01
      2   0.474262D+01 -0.199087D+01 -0.606565D+01 -0.169047D+01 -0.152584D+01
      3  -0.199087D+01  0.153841D+02  0.135063D+01 -0.152584D+01  0.627630D+01
               121           122           123           124           125 
      1  -0.670058D+01 -0.229873D+01 -0.222146D+01  0.235497D-01 -0.180457D+01
      2  -0.229873D+01 -0.669237D-01  0.162840D+01 -0.180457D+01  0.190160D+01
      3  -0.222146D+01  0.162840D+01 -0.466552D+01  0.344735D+01 -0.937427D+00
               126           127           128           129           130 
      1   0.344735D+01  0.106222D+01  0.509149D+01 -0.230796D+01  0.206435D+02
      2  -0.937427D+00  0.509149D+01 -0.677884D-01  0.141308D+01 -0.283399D+00
      3  -0.811365D+01 -0.230796D+01  0.141308D+01 -0.143196D+01  0.272959D+01
               131           132           133           134           135 
      1  -0.283399D+00  0.272959D+01 -0.524268D+01  0.236730D+00 -0.341349D+01
      2  -0.190418D+01 -0.277157D+01  0.236730D+00 -0.329967D+01 -0.299276D+01
      3  -0.277157D+01 -0.822166D+01 -0.341349D+01 -0.299276D+01  0.363853D+01
               136           137           138           139           140 
      1   0.150394D+01  0.409501D+01 -0.152138D+01  0.446885D+01 -0.185363D+01
      2   0.409501D+01 -0.556803D+00  0.195174D+01 -0.185363D+01 -0.112894D+01
      3  -0.152138D+01  0.195174D+01  0.908116D+00  0.149702D+01 -0.417996D+01
               141           142           143           144           145 
      1   0.149702D+01 -0.188921D+00  0.153066D+01 -0.286675D+01 -0.303296D+03
      2  -0.417996D+01  0.153066D+01 -0.289072D+01 -0.222888D+01 -0.235848D+02
      3  -0.112197D+01 -0.286675D+01 -0.222888D+01  0.378510D+00 -0.321199D+02
               146           147           148           149           150 
      1  -0.235848D+02 -0.321199D+02 -0.160438D+03 -0.194366D+02  0.913678D+02
      2   0.435035D+01 -0.286418D+01 -0.194366D+02 -0.715042D+01  0.776058D+01
      3  -0.286418D+01 -0.394729D+03  0.913678D+02  0.776058D+01 -0.283197D+03
               151           152           153           154           155 
      1   0.147146D+03  0.116778D+02 -0.381018D+01  0.122046D+03  0.546588D+01
      2   0.116778D+02  0.852041D+00 -0.220658D+01  0.546588D+01 -0.505891D+01
      3  -0.381018D+01 -0.220658D+01  0.422678D+02 -0.139443D+02 -0.296967D+01
               156           157           158           159           160 
      1  -0.139443D+02 -0.182573D+02  0.413848D+01 -0.563597D+02  0.223371D+02
      2  -0.296967D+01  0.413848D+01 -0.532282D+01 -0.524760D+01 -0.911906D+00
      3   0.818630D+00 -0.563597D+02 -0.524760D+01 -0.128542D+03  0.121896D+02
               161           162           163           164           165 
      1  -0.911906D+00  0.121896D+02 -0.454700D+02 -0.812876D+01  0.503903D+01
      2   0.957607D+00 -0.181867D+01 -0.812876D+01 -0.833054D+00  0.332702D+01
      3  -0.181867D+01  0.332290D+02  0.503903D+01  0.332702D+01 -0.723916D+01
               166           167           168           169           170 
      1  -0.551999D+02 -0.114910D+02  0.113916D+02 -0.469086D+02  0.213553D+01
      2  -0.114910D+02 -0.401425D+00 -0.217225D-02  0.213553D+01 -0.348555D+00
      3   0.113916D+02 -0.217225D-02  0.150943D+02 -0.353843D+01  0.176736D+01
               171           172           173           174           175 
      1  -0.353843D+01  0.393685D+01  0.660753D+01  0.468703D+01  0.385848D+02
      2   0.176736D+01  0.660753D+01  0.141610D+00 -0.145582D+01  0.343232D+01
      3   0.990389D+01  0.468703D+01 -0.145582D+01 -0.762270D+01  0.179296D+00
               176           177           178           179           180 
      1   0.343232D+01  0.179296D+00  0.146359D+02 -0.138109D-01 -0.862794D+01
      2  -0.100873D+01  0.318045D+01 -0.138109D-01  0.400927D+01 -0.315116D+01
      3   0.318045D+01 -0.160591D+02 -0.862794D+01 -0.315116D+01 -0.672173D+01
               181           182           183           184           185 
      1   0.139464D+02  0.422530D+00  0.802007D+00 -0.589534D+01  0.436891D+01
      2   0.422530D+00  0.389385D+01  0.789750D+00  0.436891D+01  0.651672D+00
      3   0.802007D+00  0.789750D+00  0.487049D+01 -0.318282D+01 -0.214508D+01
               186           187           188           189           190 
      1  -0.318282D+01  0.139594D+01  0.107320D+01  0.100195D+02 -0.611306D+02
      2  -0.214508D+01  0.107320D+01 -0.364021D+00  0.338498D+01 -0.845381D+01
      3   0.905220D+01  0.100195D+02  0.338498D+01 -0.331688D+01 -0.606403D+01
               191           192           193           194           195 
      1  -0.845381D+01 -0.606403D+01 -0.958128D+01 -0.106563D+02  0.224500D+02
      2  -0.113969D+02  0.117606D+01 -0.106563D+02 -0.114450D+02  0.220647D+01
      3   0.117606D+01 -0.159901D+01  0.224500D+02  0.220647D+01  0.276331D+02
               196           197           198           199           200 
      1   0.344668D+02  0.335160D+01 -0.860872D+00  0.100212D+02  0.813886D+00
      2   0.335160D+01  0.164840D+01 -0.296661D+01  0.813886D+00 -0.903429D+00
      3  -0.860872D+00 -0.296661D+01  0.186805D+01  0.314421D+01  0.887439D+00
               201           202           203           204           205 
      1   0.314421D+01 -0.688963D+00 -0.211860D+01 -0.125524D+01 -0.407496D+01
      2   0.887439D+00 -0.211860D+01  0.930325D+00  0.286325D+00 -0.992275D+00
      3  -0.202231D+01 -0.125524D+01  0.286325D+00 -0.406352D+01 -0.479764D+01
               206           207           208           209           210 
      1  -0.992275D+00 -0.479764D+01 -0.513000D+01  0.418696D+01 -0.181484D+01
      2  -0.109751D+01 -0.384431D+01  0.418696D+01  0.417527D+01 -0.723419D+00
      3  -0.384431D+01  0.569886D+00 -0.181484D+01 -0.723419D+00 -0.531988D+01
               211           212           213           214           215 
      1   0.357199D+01  0.658109D+01 -0.192175D+01 -0.145259D+01 -0.347606D+01
      2   0.658109D+01  0.372732D+00  0.210671D+01 -0.347606D+01 -0.585437D+00
      3  -0.192175D+01  0.210671D+01 -0.118552D+01 -0.570716D+01  0.363735D+00
               216           217           218           219           220 
      1  -0.570716D+01 -0.152689D+01 -0.409983D+01 -0.974564D+00 -0.446878D+01
      2   0.363735D+00 -0.409983D+01  0.563456D+00  0.196003D+01  0.186423D+01
      3   0.365268D+01 -0.974564D+00  0.196003D+01 -0.905119D+00  0.168172D+01
               221           222           223           224           225 
      1   0.186423D+01  0.168172D+01 -0.229098D+00  0.151501D+01  0.300480D+01
      2   0.112094D+01 -0.417608D+01  0.151501D+01 -0.288092D+01  0.224539D+01
      3  -0.417608D+01  0.113055D+01  0.300480D+01  0.224539D+01  0.373768D+00
               226           227           228           229           230 
      1  -0.631020D+00 -0.504126D+01 -0.217157D+01 -0.205857D+02  0.259861D+00
      2  -0.504126D+01  0.676889D-01  0.140992D+01  0.259861D+00  0.189978D+01
      3  -0.217157D+01  0.140992D+01  0.139702D+01  0.182419D+01 -0.280076D+01
               231           232           233           234           235 
      1   0.182419D+01 -0.505031D+01  0.253026D+00  0.306200D+01  0.111474D+02
      2  -0.280076D+01  0.253026D+00 -0.329316D+01  0.299652D+01  0.603893D+01
      3   0.821836D+01  0.306200D+01  0.299652D+01  0.359689D+01  0.183620D+01
               236           237           238           239           240 
      1   0.603893D+01  0.183620D+01  0.701732D+01  0.234511D+01 -0.290000D+01
      2   0.168179D+01 -0.150536D+01  0.234511D+01  0.866459D-01  0.160203D+01
      3  -0.150536D+01 -0.620737D+01 -0.290000D+01  0.160203D+01  0.460110D+01
               241           242           243           244           245 
      1   0.120300D+00 -0.181148D+01 -0.273699D+01  0.125021D+03  0.343260D+01
      2  -0.181148D+01  0.189160D+01  0.951021D+00  0.343260D+01  0.367022D+01
      3  -0.273699D+01  0.951021D+00 -0.813930D+01 -0.226837D+01 -0.335745D+01
               246           247           248           249           250 
      1  -0.226837D+01  0.767695D+02  0.241080D+02 -0.347159D+02 -0.276056D+02
      2  -0.335745D+01  0.241080D+02  0.235186D+02  0.237453D+01 -0.397213D+01
      3   0.757978D+01 -0.347159D+02  0.237453D+01  0.103595D+03  0.284299D+01
               251           252           253           254           255 
      1  -0.397213D+01  0.284299D+01 -0.198216D+02  0.582918D+01  0.540659D+01
      2  -0.288706D+01  0.396717D+01  0.582918D+01  0.423714D+01  0.415592D-02
      3   0.396717D+01  0.104706D+02  0.540659D+01  0.415592D-02 -0.172414D+02
               256           257           258           259           260 
      1   0.517174D+01 -0.142168D+02  0.900833D+01 -0.303162D+01  0.247065D+01
      2  -0.142168D+02 -0.416100D+01 -0.138237D+01  0.247065D+01 -0.114446D+01
      3   0.900833D+01 -0.138237D+01 -0.540381D+01  0.377730D+01  0.418441D-02
               261           262           263           264           265 
      1   0.377730D+01 -0.691521D+01 -0.146304D+01  0.154219D+01  0.735206D+01
      2   0.418441D-02 -0.146304D+01 -0.446960D+01 -0.560983D+00  0.108871D+01
      3  -0.146086D+01  0.154219D+01 -0.560983D+00 -0.100261D+02 -0.131715D+01
               266           267           268           269           270 
      1   0.108871D+01 -0.131715D+01  0.720840D+01  0.110021D+01 -0.236995D+01
      2   0.482871D+01  0.171856D+01  0.110021D+01  0.473620D+01  0.192553D+01
      3   0.171856D+01  0.124290D+02 -0.236995D+01  0.192553D+01  0.153604D+02
               271           272           273           274           275 
      1  -0.264614D+03 -0.531988D+01  0.711253D+02  0.142574D+03  0.567586D+01
      2  -0.531988D+01  0.245986D+01 -0.140120D+01  0.567586D+01  0.395960D+01
      3   0.711253D+02 -0.140120D+01 -0.300284D+03  0.107763D+02 -0.841557D+01
               276           277           278           279           280 
      1   0.107763D+02 -0.171909D+02 -0.227410D+01  0.590269D+00 -0.113729D+02
      2  -0.841557D+01 -0.227410D+01 -0.354161D+00  0.789941D+00 -0.212961D+01
      3   0.289721D+03  0.590269D+00  0.789941D+00 -0.145189D+03  0.362779D+00
               281           282           283           284           285 
      1  -0.212961D+01  0.362779D+00  0.526386D+01 -0.428596D-01 -0.298178D+01
      2  -0.483822D+01  0.128632D+01 -0.428596D-01  0.185853D+01 -0.129474D+01
      3   0.128632D+01 -0.158178D+02 -0.298178D+01 -0.129474D+01  0.897550D+01
               286           287           288           289           290 
      1  -0.868984D+01 -0.134779D+01 -0.589921D+00 -0.520532D+00  0.179399D+01
      2  -0.134779D+01 -0.283152D+01  0.164989D+01  0.179399D+01  0.195606D+01
      3  -0.589921D+00  0.164989D+01 -0.166861D+02 -0.265123D+01 -0.154935D+00
               291           292           293           294           295 
      1  -0.265123D+01 -0.163636D+01  0.240485D+01 -0.278219D+01  0.964886D+00
      2  -0.154935D+00  0.240485D+01  0.624874D+01 -0.937945D+00 -0.349433D+00
      3   0.547224D+00 -0.278219D+01 -0.937945D+00  0.233227D+01  0.127079D+01
               296           297           298           299           300 
      1  -0.349433D+00  0.127079D+01  0.116702D+01 -0.182474D+01 -0.267263D+01
      2  -0.698793D+00  0.146791D+01 -0.182474D+01 -0.195854D+01 -0.157273D+00
      3   0.146791D+01 -0.918519D+00 -0.267263D+01 -0.157273D+00 -0.517735D+00
               301           302           303           304           305 
      1   0.231335D+01 -0.242064D+01 -0.248974D+01  0.115300D+01 -0.357021D+00
      2  -0.242064D+01 -0.624570D+01 -0.928743D+00 -0.357021D+00 -0.698353D+00
      3  -0.248974D+01 -0.928743D+00 -0.233165D+01 -0.126354D+01 -0.146710D+01
               306           307           308           309           310 
      1  -0.126354D+01  0.110619D+02  0.212422D+01 -0.190836D+01 -0.450330D+01
      2  -0.146710D+01  0.212422D+01  0.483098D+01  0.120246D+01  0.623822D-01
      3  -0.920535D+00 -0.190836D+01  0.120246D+01  0.157793D+02 -0.156206D+01
               311           312           313           314           315 
      1   0.623822D-01 -0.156206D+01 -0.848389D+01 -0.133056D+01  0.266742D+01
      2  -0.186498D+01 -0.124961D+01 -0.133056D+01 -0.282942D+01 -0.157721D+01
      3  -0.124961D+01 -0.894600D+01  0.266742D+01 -0.157721D+01 -0.166649D+02
               316           317           318           319           320 
      1  -0.745182D+01 -0.412057D+01 -0.178228D+01 -0.540519D+01 -0.567210D+01
      2  -0.412057D+01 -0.453572D+01 -0.109282D+01 -0.567210D+01 -0.669926D+01
      3  -0.178228D+01 -0.109282D+01 -0.130075D+01 -0.112818D+01 -0.198229D+01
               321           322           323           324           325 
      1  -0.112818D+01 -0.139040D+01  0.271555D+00 -0.127328D+01  0.194600D+01
      2  -0.198229D+01  0.271555D+00 -0.884889D+00 -0.115255D+01 -0.120407D+01
      3  -0.186297D+01 -0.127328D+01 -0.115255D+01 -0.280371D+01 -0.165821D+01
               326           327           328           329           330 
      1  -0.120407D+01 -0.165821D+01 -0.143454D+01 -0.274059D+00  0.218401D+00
      2   0.985437D+00  0.141265D+01 -0.274059D+00 -0.150307D+01 -0.138845D+01
      3   0.141265D+01  0.437361D+01  0.218401D+00 -0.138845D+01 -0.154906D+01
               331           332           333           334           335 
      1   0.108203D+01  0.605733D+00  0.145223D+01 -0.163557D+02 -0.773487D+00
      2   0.605733D+00 -0.140404D+01 -0.179093D+01 -0.773487D+00 -0.102561D+01
      3   0.145223D+01 -0.179093D+01 -0.635244D+01 -0.390292D+01 -0.107196D+00
               336           337           338           339           340 
      1  -0.390292D+01 -0.941639D+00 -0.149181D+01  0.687240D+00 -0.267457D+01
      2  -0.107196D+00 -0.149181D+01  0.192949D+00 -0.426636D+00 -0.239578D+00
      3  -0.245962D+01  0.687240D+00 -0.426636D+00  0.997563D+00 -0.124194D+01
               341           342           343           344           345 
      1  -0.239578D+00 -0.124194D+01 -0.785053D+00  0.354250D+00 -0.102103D+01
      2   0.209166D+00  0.140404D+00  0.354250D+00  0.675184D+00 -0.706008D+00
      3   0.140404D+00 -0.127684D+01 -0.102103D+01 -0.706008D+00  0.134963D+01
               346           347           348           349           350 
      1   0.421045D+00 -0.455483D-01  0.273140D+00 -0.320427D+00  0.560882D+00
      2  -0.455483D-01  0.162132D+01 -0.186954D+01  0.560882D+00 -0.154206D+01
      3   0.273140D+00 -0.186954D+01  0.403966D+01 -0.774065D+00  0.231335D+01
               351           352           353           354           355 
      1  -0.774065D+00 -0.561083D+01  0.327553D+01  0.190061D+01  0.494729D+01
      2   0.231335D+01  0.327553D+01 -0.209275D+01 -0.240112D+00 -0.323994D+01
      3  -0.663153D+01  0.190061D+01 -0.240112D+00 -0.629971D+00  0.669521D+00
               356           357           358           359           360 
      1  -0.323994D+01  0.669521D+00  0.138514D+01 -0.912724D+00 -0.281459D+01
      2   0.496656D+01  0.567482D+00 -0.912724D+00  0.625957D+00  0.646104D+00
      3   0.567482D+00  0.194770D+01 -0.281459D+01  0.646104D+00 -0.599505D+00
               361           362           363           364           365 
      1   0.506859D+01  0.210005D+01  0.533355D+00  0.184788D+01  0.930578D+00
      2   0.210005D+01  0.133881D+01 -0.293664D+00  0.930578D+00  0.778855D+00
      3   0.533355D+00 -0.293664D+00  0.313332D+01 -0.172098D+00  0.670680D+00
               366           367           368           369           370 
      1  -0.172098D+00 -0.107882D+01 -0.512334D+00  0.194218D+01 -0.510620D+00
      2   0.670680D+00 -0.512334D+00  0.278584D+00  0.684501D+00 -0.327006D+00
      3   0.217342D+01  0.194218D+01  0.684501D+00 -0.210717D+00  0.132798D+01
               371           372           373           374           375 
      1  -0.327006D+00  0.132798D+01 -0.105227D+01 -0.103567D+01  0.124898D+01
      2  -0.132625D+00 -0.104751D+00 -0.103567D+01 -0.349724D+01  0.307479D+01
      3  -0.104751D+00 -0.210948D+00  0.124898D+01  0.307479D+01 -0.485774D+01
               376           377           378           379           380 
      1   0.129306D+01  0.610400D+00 -0.140207D+01 -0.420009D+01  0.203109D+01
      2   0.610400D+00  0.211493D+01 -0.266711D+01  0.203109D+01 -0.164521D+01
      3  -0.140207D+01 -0.266711D+01  0.511359D+01  0.287943D+01 -0.142631D+01
               381           382           383           384           385 
      1   0.287943D+01  0.244965D+01 -0.232537D+01 -0.235357D+01  0.130392D+01
      2  -0.142631D+01 -0.232537D+01  0.255994D+01  0.249098D+01 -0.111804D+01
      3  -0.229017D+01 -0.235357D+01  0.249098D+01  0.365202D+01 -0.239312D+01
               386           387           388           389           390 
      1  -0.111804D+01 -0.239312D+01 -0.301630D+01 -0.792465D+00 -0.191015D+01
      2   0.141034D+01  0.125446D+01 -0.792465D+00 -0.869127D+00 -0.774217D+00
      3   0.125446D+01  0.378415D+01 -0.191015D+01 -0.774217D+00 -0.867465D+00
               391           392           393           394           395 
      1  -0.567564D+00 -0.133686D+01 -0.923982D+00 -0.361625D+01 -0.138877D+01
      2  -0.133686D+01 -0.138616D+01 -0.599105D+00 -0.138877D+01 -0.105102D+01
      3  -0.923982D+00 -0.599105D+00 -0.128042D+01 -0.161629D+01 -0.121568D+01
               396           397           398           399           400 
      1  -0.161629D+01 -0.547901D+01  0.267440D+01  0.267863D+01  0.980639D+01
      2  -0.121568D+01  0.267440D+01 -0.119762D+01 -0.689469D+00 -0.200934D+01
      3  -0.405207D+01  0.267863D+01 -0.689469D+00 -0.374881D+01 -0.234899D+01
               401           402           403           404           405 
      1  -0.200934D+01 -0.234899D+01  0.403093D+01 -0.727661D+00 -0.292036D+01
      2   0.179848D+01  0.109421D+01 -0.727661D+00  0.935058D+00  0.286907D+00
      3   0.109421D+01  0.105739D+01 -0.292036D+01  0.286907D+00  0.182772D+01
               406           407           408           409           410 
      1  -0.193079D+01 -0.749872D+00  0.133429D+01 -0.264073D+01 -0.297482D+01
      2  -0.749872D+00 -0.300532D+00  0.251424D+00 -0.297482D+01 -0.487512D+01
      3   0.133429D+01  0.251424D+00 -0.589179D-01  0.170455D+01  0.289172D+01
               411           412           413           414           415 
      1   0.170455D+01  0.313952D+01  0.173434D+01 -0.255642D+01  0.816553D+00
      2   0.289172D+01  0.173434D+01  0.294229D+01 -0.265805D+01 -0.219803D+01
      3  -0.288987D+01 -0.255642D+01 -0.265805D+01  0.307582D+01 -0.119555D+01
               416           417           418           419           420 
      1  -0.219803D+01 -0.119555D+01 -0.992583D+00  0.131151D+01  0.604333D-02
      2   0.314341D+01  0.830922D+00  0.131151D+01 -0.365182D+01 -0.129253D+01
      3   0.830922D+00  0.262454D+01  0.604333D-02 -0.129253D+01  0.762403D+00
               421           422           423           424           425 
      1  -0.949401D+00  0.869740D+00  0.120067D+01 -0.762917D+01 -0.468912D+01
      2   0.869740D+00 -0.298422D+01 -0.131435D+01 -0.468912D+01 -0.534632D+01
      3   0.120067D+01 -0.131435D+01 -0.922647D+00  0.853380D+00  0.903414D+00
               426           427           428           429           430 
      1   0.853380D+00 -0.121191D+01 -0.357638D+01  0.949443D+00 -0.872683D+00
      2   0.903414D+00 -0.357638D+01 -0.573729D+01  0.547144D+00  0.157581D+00
      3  -0.779037D+00  0.949443D+00  0.547144D+00 -0.243012D+01 -0.886818D+00
               431           432           433           434           435 
      1   0.157581D+00 -0.886818D+00  0.107779D+01 -0.823131D+00  0.106298D+01
      2  -0.180687D+00 -0.981098D+00 -0.823131D+00  0.925558D+00 -0.520351D+00
      3  -0.981098D+00  0.154534D+01  0.106298D+01 -0.520351D+00  0.298319D+01
               436           437           438           439           440 
      1   0.298632D+00  0.275657D+00  0.131589D+00  0.540199D+00 -0.292011D+00
      2   0.275657D+00 -0.313272D-01  0.768404D+00 -0.292011D+00  0.221612D+01
      3   0.131589D+00  0.768404D+00 -0.151665D+00  0.115580D+01 -0.205334D+01
               441           442           443           444           445 
      1   0.115580D+01  0.398040D+00  0.317982D+00  0.135684D+01  0.982186D+00
      2  -0.205334D+01  0.317982D+00  0.126298D+00 -0.109366D+00  0.102620D+01
      3   0.702911D+01  0.135684D+01 -0.109366D+00  0.205794D+00  0.121345D+01
               446           447           448           449           450 
      1   0.102620D+01  0.121345D+01  0.128167D+01  0.605045D+00  0.140430D+01
      2   0.350363D+01  0.307404D+01  0.605045D+00  0.211370D+01  0.266470D+01
      3   0.307404D+01  0.486495D+01  0.140430D+01  0.266470D+01  0.510108D+01
               451           452           453           454           455 
      1  -0.522963D+01 -0.211523D+01  0.615695D+00 -0.188368D+01 -0.934344D+00
      2  -0.211523D+01 -0.134314D+01 -0.285860D+00 -0.934344D+00 -0.781239D+00
      3   0.615695D+00 -0.285860D+00 -0.311027D+01  0.162888D-01  0.681527D+00
               456           457           458           459           460 
      1   0.162888D-01 -0.941369D+00 -0.508952D+00 -0.192883D+01  0.413684D+01
      2   0.681527D+00 -0.508952D+00  0.278408D+00 -0.685314D+00 -0.203385D+01
      3  -0.217569D+01 -0.192883D+01 -0.685314D+00 -0.216645D+00  0.301437D+01
               461           462           463           464           465 
      1  -0.203385D+01  0.301437D+01 -0.242407D+01  0.232039D+01 -0.222198D+01
      2   0.163667D+01 -0.142605D+01  0.232039D+01 -0.255058D+01  0.248957D+01
      3  -0.142605D+01  0.229766D+01 -0.222198D+01  0.248957D+01 -0.366327D+01
               466           467           468           469           470 
      1   0.130928D+01 -0.111991D+01  0.229427D+01  0.178484D+01  0.729560D+00
      2  -0.111991D+01  0.141291D+01 -0.126160D+01  0.729560D+00  0.301604D+00
      3   0.229427D+01 -0.126160D+01  0.380311D+01  0.140497D+01  0.256532D+00
               471           472           473           474           475 
      1   0.140497D+01  0.262981D+01  0.296909D+01  0.165939D+01  0.306698D+01
      2   0.256532D+00  0.296909D+01  0.486975D+01  0.289224D+01  0.172618D+01
      3   0.120484D+00  0.165939D+01  0.289224D+01  0.289869D+01  0.257025D+01
               476           477           478           479           480 
      1   0.172618D+01  0.257025D+01  0.537158D+01 -0.267719D+01  0.234502D+01
      2   0.294117D+01  0.265761D+01 -0.267719D+01  0.120391D+01 -0.709074D+00
      3   0.265761D+01  0.309020D+01  0.234502D+01 -0.709074D+00  0.375548D+01
               481           482           483           484           485 
      1  -0.978668D+01  0.200904D+01 -0.237757D+01  0.395456D+01 -0.740722D+00
      2   0.200904D+01 -0.179901D+01  0.109568D+01 -0.740722D+00  0.935810D+00
      3  -0.237757D+01  0.109568D+01 -0.106796D+01  0.287729D+01 -0.288742D+00
               486           487           488           489           490 
      1   0.287729D+01  0.306476D+01  0.791330D+00 -0.181918D+01  0.584297D+00
      2  -0.288742D+00  0.791330D+00  0.860578D+00 -0.772848D+00  0.133413D+01
      3   0.182951D+01 -0.181918D+01 -0.772848D+00  0.850128D+00 -0.939345D+00
               491           492           493           494           495 
      1   0.133413D+01 -0.939345D+00 -0.356946D+01 -0.138554D+01  0.163234D+01
      2   0.137884D+01 -0.593560D+00 -0.138554D+01 -0.104564D+01  0.120641D+01
      3  -0.593560D+00  0.126752D+01  0.163234D+01  0.120641D+01 -0.405187D+01
               496           497           498           499           500 
      1   0.162961D+02  0.769721D+00 -0.388401D+01  0.705863D+00  0.145907D+01
      2   0.769721D+00  0.103331D+01 -0.105485D+00  0.145907D+01 -0.198440D+00
      3  -0.388401D+01 -0.105485D+00  0.243835D+01  0.827634D+00 -0.417075D+00
               501           502           503           504           505 
      1   0.827634D+00 -0.244038D+01 -0.211138D+00  0.125778D+01  0.811540D+00
      2  -0.417075D+00 -0.211138D+00  0.217223D+00 -0.145407D+00 -0.353051D+00
      3  -0.982426D+00  0.125778D+01 -0.145407D+00 -0.128164D+01 -0.111865D+01
               506           507           508           509           510 
      1  -0.353051D+00 -0.111865D+01 -0.426160D+00  0.498879D-01  0.421146D+00
      2  -0.672841D+00 -0.704975D+00  0.498879D-01 -0.162746D+01 -0.186566D+01
      3  -0.704975D+00 -0.134362D+01  0.421146D+00 -0.186566D+01 -0.404427D+01
               511           512           513           514           515 
      1  -0.421097D+00  0.563496D+00  0.830386D+00 -0.192987D+01  0.120611D+01
      2   0.563496D+00 -0.154587D+01 -0.231577D+01  0.120611D+01 -0.981350D+00
      3   0.830386D+00 -0.231577D+01 -0.662171D+01 -0.154668D+01  0.141309D+01
               516           517           518           519           520 
      1  -0.154668D+01  0.141201D+01  0.258630D+00  0.148614D+00  0.112542D+01
      2   0.141309D+01  0.258630D+00  0.149830D+01 -0.138990D+01  0.633547D+00
      3  -0.437888D+01  0.148614D+00 -0.138990D+01  0.156461D+01 -0.121258D+01
               521           522           523           524           525 
      1   0.633547D+00 -0.121258D+01  0.752102D+01  0.412659D+01 -0.181815D+01
      2  -0.139744D+01  0.179987D+01  0.412659D+01  0.452972D+01 -0.108990D+01
      3   0.179987D+01 -0.639411D+01 -0.181815D+01 -0.108990D+01  0.133105D+01
               526           527           528           529           530 
      1   0.520868D+01  0.564454D+01 -0.117319D+01 -0.159796D+01  0.240058D+00
      2   0.564454D+01  0.669505D+01 -0.198129D+01  0.240058D+00 -0.881334D+00
      3  -0.117319D+01 -0.198129D+01  0.186131D+01  0.162099D+01  0.115883D+01
               531           532           533           534           535 
      1   0.162099D+01  0.516410D+01 -0.330271D+01  0.193501D+01 -0.531081D+01
      2   0.115883D+01 -0.330271D+01  0.208611D+01 -0.237860D+00  0.322414D+01
      3  -0.281478D+01  0.193501D+01 -0.237860D+00  0.643451D+00  0.877082D+00
               536           537           538           539           540 
      1   0.322414D+01  0.877082D+00  0.993891D+00 -0.946536D+00  0.300126D+01
      2  -0.497073D+01  0.577697D+00 -0.946536D+00  0.629467D+00 -0.631754D+00
      3   0.577697D+00 -0.193749D+01  0.300126D+01 -0.631754D+00 -0.597793D+00
               541           542           543           544           545 
      1   0.755815D+01  0.468285D+01  0.841113D+00  0.114435D+01  0.356113D+01
      2   0.468285D+01  0.534544D+01  0.901404D+00  0.356113D+01  0.572908D+01
      3   0.841113D+00  0.901404D+00  0.760454D+00  0.670820D+00  0.535309D+00
               546           547           548           549           550 
      1   0.670820D+00 -0.934075D+00  0.151130D+00  0.727756D+00 -0.789045D+00
      2   0.535309D+00  0.151130D+00 -0.178633D+00  0.978819D+00  0.219660D+01
      3   0.241268D+01  0.727756D+00  0.978819D+00  0.152689D+01 -0.101348D+01
               551           552           553           554           555 
      1   0.219660D+01 -0.101348D+01  0.111330D+01 -0.130967D+01  0.247748D+00
      2  -0.313575D+01  0.841946D+00 -0.130967D+01  0.365412D+01 -0.129067D+01
      3   0.841946D+00 -0.264217D+01  0.247748D+00 -0.129067D+01 -0.749204D+00
               556           557           558           559           560 
      1  -0.940921D+00  0.874029D+00 -0.126281D+01 -0.108499D+01  0.820440D+00
      2   0.874029D+00 -0.299048D+01  0.131955D+01  0.820440D+00 -0.928498D+00
      3  -0.126281D+01  0.131955D+01 -0.942383D+00  0.118848D+01 -0.517685D+00
               561           562           563           564           565 
      1   0.118848D+01 -0.328120D+00 -0.282468D+00  0.142353D+00  0.564642D+00
      2  -0.517685D+00 -0.282468D+00  0.293055D-01  0.766147D+00 -0.296723D+00
      3  -0.296367D+01  0.142353D+00  0.766147D+00  0.146238D+00 -0.126877D+01
               566           567 
      1  -0.296723D+00 -0.126877D+01
      2   0.221464D+01  0.204864D+01
      3   0.204864D+01  0.699809D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.898086D+01 -0.729911D+01  0.644328D+01  0.258373D+01  0.241343D+01
      2  -0.315240D+02 -0.206870D+01  0.276086D+02  0.158323D+02  0.307384D+01
      3   0.522818D+03  0.130424D+03 -0.833698D+02 -0.580370D+03 -0.135860D+03
                 6             7             8             9            10 
      1  -0.483380D+01 -0.103498D+02  0.584309D+01  0.261454D+01 -0.168989D+02
      2  -0.153561D+02 -0.110055D+02  0.218169D+02  0.152595D+02  0.668272D+02
      3   0.234969D+03  0.128751D+04  0.168069D+03  0.142653D+03  0.904990D+03
                11            12            13            14            15 
      1   0.666162D+01  0.243394D+01  0.399856D+01  0.189748D+01  0.113763D+02
      2   0.734833D+01  0.355949D+02 -0.421791D+02 -0.166712D+02 -0.953604D+00
      3  -0.417388D+02 -0.150255D+04 -0.231707D+04  0.754875D+02 -0.236913D+04
                16            17            18            19            20 
      1   0.324565D+02  0.483092D+01  0.293967D+01  0.584002D+02 -0.645753D+01
      2  -0.245352D+02 -0.187776D+02  0.275315D+01 -0.451755D+02  0.269131D+01
      3  -0.267573D+04 -0.193163D+03 -0.203282D+04 -0.361622D+04 -0.282014D+02
                21            22            23            24            25 
      1  -0.593384D+02 -0.141207D+03 -0.104330D+02  0.119646D+03  0.523986D+02
      2   0.111685D+00  0.422164D+03  0.558538D+01 -0.842870D+03 -0.771117D+03
      3  -0.809477D+01  0.166952D+05  0.293282D+03 -0.175283D+05 -0.180258D+04
                26            27            28            29            30 
      1   0.318539D+01 -0.371138D+02 -0.165185D+03 -0.105935D+02  0.131705D+03
      2  -0.212704D+02 -0.125514D+03 -0.837356D+03 -0.849098D+02 -0.151000D+03
      3   0.656213D+03  0.385057D+03 -0.727299D+04 -0.192698D+04  0.377589D+03
                31            32            33            34            35 
      1   0.241320D+03  0.146417D+01 -0.213046D+03  0.955315D+02  0.117233D+02
      2  -0.750004D+03 -0.339162D+02  0.761673D+03 -0.435951D+03 -0.448050D+02
      3  -0.456957D+05 -0.371541D+04  0.785768D+05 -0.120652D+05 -0.725541D+03
                36            37            38            39            40 
      1  -0.535654D+02  0.212976D+02 -0.259557D+00  0.155660D+02  0.185426D+02
      2  -0.206547D+03  0.486391D+02  0.218422D+01 -0.921929D+02 -0.114658D+03
      3   0.193441D+05  0.235133D+04  0.661340D+03  0.672372D+04  0.633611D+04
                41            42            43            44            45 
      1   0.111514D+02 -0.110214D+02 -0.103374D+03  0.701606D+01  0.165087D+01
      2  -0.444921D+02 -0.623168D+02  0.821823D+03  0.101332D+03  0.232335D+03
      3   0.120140D+04 -0.106492D+05  0.467910D+04 -0.130791D+03  0.464823D+04
                46            47            48            49            50 
      1   0.303025D+02  0.770613D+01 -0.525948D+01  0.273833D+02 -0.759949D+01
      2  -0.271678D+03 -0.479640D+02 -0.276342D+02 -0.162662D+03 -0.211794D+02
      3  -0.249244D+04 -0.281124D+03  0.118236D+04 -0.192228D+04 -0.342977D+03
                51            52            53            54            55 
      1  -0.378906D+01 -0.499725D+01  0.307221D+01  0.150852D+02 -0.168735D+02
      2  -0.775407D+02 -0.539279D+02 -0.201740D+02 -0.806236D+02 -0.490643D+02
      3   0.116281D+04  0.468391D+02 -0.404710D+02  0.340729D+04  0.138888D+04
                56            57            58            59            60 
      1   0.430373D+01  0.328760D+01 -0.339284D+02 -0.707688D+01 -0.687593D+01
      2  -0.849935D+00  0.275347D+02  0.343945D+03  0.678269D+02 -0.636244D+01
      3   0.209612D+03  0.187720D+04  0.619628D+03 -0.631228D+02  0.784781D+04
                61            62            63            64            65 
      1  -0.122450D+02  0.549609D+01  0.114241D+01  0.631132D+03  0.503062D+02
      2  -0.353418D+01  0.115651D+02 -0.550661D+02 -0.433566D+04 -0.419577D+03
      3   0.211571D+04  0.172892D+03 -0.327269D+04 -0.599949D+05 -0.239763D+04
                66            67            68            69            70 
      1  -0.189931D+03  0.428120D+03  0.449287D+02  0.311451D+02  0.385542D+03
      2   0.765675D+03 -0.431017D+04 -0.445243D+03 -0.168296D+03 -0.354648D+04
      3   0.242614D+06  0.255841D+05  0.329975D+04  0.173832D+06 -0.192809D+04
                71            72            73            74            75 
      1   0.207046D+02  0.553264D+01 -0.168408D+02  0.260983D-01  0.249708D+03
      2  -0.309877D+03  0.231565D+03  0.802445D+02 -0.175555D+01 -0.112405D+04
      3   0.545591D+03  0.253515D+05  0.342933D+05  0.110754D+05  0.305816D+03
                76            77            78            79            80 
      1  -0.797600D+01 -0.103598D+00  0.612919D+02 -0.497578D+03 -0.148617D+01
      2   0.672095D+02  0.276702D+01 -0.741599D+03  0.576336D+04  0.191093D+03
      3  -0.465384D+05  0.591931D+03  0.568782D+03 -0.605293D+04 -0.251524D+03
                81            82            83            84            85 
      1   0.742799D+01  0.434370D+03  0.295870D+02 -0.718667D+01 -0.287548D+03
      2  -0.436663D+02 -0.423090D+04 -0.447394D+03 -0.928033D+03  0.383635D+04
      3   0.767032D+05  0.154603D+05 -0.128120D+04  0.184358D+06  0.330851D+05
                86            87            88            89            90 
      1  -0.264601D+02 -0.627720D+02 -0.862056D+02 -0.188044D+02  0.360214D+02
      2   0.491632D+03  0.443629D+03  0.217515D+03  0.203244D+03  0.411447D+03
      3  -0.407876D+04 -0.178811D+06  0.139629D+05  0.683758D+03 -0.889098D+05
                91            92            93            94            95 
      1  -0.404813D+02  0.384146D+01 -0.135035D+02 -0.179597D+03  0.431012D+00
      2   0.214553D+03  0.608477D+02  0.784876D+03  0.142424D+04  0.701151D+02
      3  -0.233785D+04 -0.190815D+04 -0.401352D+04 -0.969369D+04  0.375996D+04
                96            97            98            99           100 
      1   0.710695D+02 -0.101069D+03  0.105109D+02 -0.724923D+02  0.273280D+02
      2   0.291265D+03  0.364725D+03  0.734305D+00  0.585394D+02 -0.311937D+03
      3  -0.619910D+05 -0.192688D+04  0.370759D+03  0.712270D+04  0.177764D+04
               101           102           103           104           105 
      1   0.518203D+01 -0.893399D+01  0.144277D+02 -0.428231D+01  0.311696D+02
      2  -0.310457D+02 -0.607491D+01 -0.165939D+03  0.263943D+02  0.498391D+02
      3   0.229410D+03  0.113056D+05  0.329291D+04 -0.140215D+04  0.392931D+04
               106           107           108           109           110 
      1   0.242563D+02  0.197635D+02  0.353974D+02  0.291561D+02  0.161941D+00
      2   0.280941D+03 -0.454873D+02 -0.639079D+02 -0.934346D+02 -0.121081D+02
      3  -0.172055D+04 -0.737543D+03 -0.512423D+03 -0.112596D+04 -0.398863D+03
               111           112           113           114           115 
      1   0.132599D+02 -0.328354D+02  0.293407D+01 -0.209619D+02  0.278565D+02
      2   0.529468D+01  0.141610D+03  0.217433D+02  0.413285D+01 -0.172868D+03
      3   0.566546D+04  0.954309D+03  0.434303D+03 -0.743769D+04 -0.100355D+04
               116           117           118           119           120 
      1  -0.463071D+01  0.185576D+02 -0.187983D+02  0.462513D+01 -0.698714D+01
      2  -0.135392D+02  0.133195D+02  0.753747D+02  0.871713D+01  0.289470D+01
      3  -0.257792D+03  0.724733D+04  0.646058D+03  0.161324D+02  0.186168D+04
               121           122           123           124           125 
      1  -0.308366D+01 -0.101510D+02 -0.259896D+01 -0.158455D+02  0.105065D+02
      2   0.466427D+02  0.182319D+02  0.275763D+02  0.572076D+02  0.111473D+01
      3  -0.416111D+03 -0.145319D+03 -0.260708D+04  0.407899D+03 -0.568040D+02
               126           127           128           129           130 
      1   0.189062D+02  0.841213D+01 -0.434479D+01  0.524771D+01  0.680550D+00
      2  -0.339385D+02  0.227639D+02  0.820259D+01 -0.712003D+01 -0.106323D+03
      3  -0.267855D+04 -0.921543D+03 -0.183624D+03  0.668004D+03  0.208094D+03
               131           132           133           134           135 
      1   0.322560D+01  0.122080D+01  0.478271D+01  0.359090D+01 -0.160973D+01
      2  -0.336162D+02 -0.215457D+02 -0.984272D+01 -0.205982D+02  0.111273D+02
      3   0.107821D+03 -0.346634D+04  0.354428D+03  0.899234D+02  0.137953D+04
               136           137           138           139           140 
      1   0.136886D+02 -0.303812D+01  0.334056D+01 -0.797437D+01  0.319716D+00
      2  -0.288701D+02 -0.461533D+01 -0.812924D+00 -0.197171D+02 -0.173065D+02
      3  -0.950519D+02  0.277934D+00  0.215731D+04 -0.652202D+02  0.244881D+02
               141           142           143           144           145 
      1  -0.175275D+02  0.539212D+01 -0.675338D+01 -0.679511D+01 -0.605397D+03
      2  -0.652109D+01 -0.188181D+02 -0.169271D+02  0.974230D+01  0.424042D+04
      3   0.786240D+03 -0.594133D+02  0.157399D+02 -0.539309D+03 -0.213287D+05
               146           147           148           149           150 
      1  -0.489256D+02 -0.233942D+03 -0.424568D+03 -0.444847D+02  0.163994D+00
      2   0.414012D+03  0.999530D+03  0.429258D+04  0.442002D+03 -0.688914D+01
      3  -0.105103D+04 -0.242787D+06  0.533671D+05  0.422804D+04 -0.174050D+06
               151           152           153           154           155 
      1   0.387718D+03  0.206473D+02 -0.117294D+01  0.144626D+03  0.924484D+01
      2  -0.352212D+04 -0.308128D+03 -0.253155D+03  0.857967D+03  0.887361D+02
      3  -0.220050D+04 -0.638192D+03  0.257861D+05 -0.707241D+04 -0.196851D+04
               156           157           158           159           160 
      1   0.132569D+03 -0.213995D+03 -0.259885D+00 -0.227729D+03  0.889380D+02
      2  -0.157333D+03  0.664275D+03  0.304057D+02  0.842527D+03 -0.476986D+03
      3  -0.203510D+03 -0.332957D+05 -0.325466D+04 -0.786322D+05  0.908154D+04
               161           162           163           164           165 
      1   0.115171D+02  0.571911D+02 -0.225166D+02  0.268240D+00  0.144014D+02
      2  -0.464634D+02  0.186819D+03 -0.381631D+02 -0.208165D+01 -0.856212D+02
      3   0.608202D+03  0.193939D+05  0.346528D+04  0.702596D+03 -0.675042D+04
               166           167           168           169           170 
      1  -0.175922D+02 -0.109270D+02 -0.899787D+01 -0.103679D+03  0.707037D+01
      2   0.120972D+03  0.438431D+02 -0.731372D+02  0.864658D+03  0.102476D+03
      3   0.464734D+04  0.114636D+04  0.106775D+05 -0.544171D+04  0.994462D+02
               171           172           173           174           175 
      1  -0.614397D+00  0.159306D+02 -0.432341D+01  0.302151D+01  0.349283D+02
      2  -0.237737D+03  0.445821D+02  0.483351D+00  0.291072D+02 -0.340697D+03
      3   0.460328D+04  0.167304D+04  0.218348D+03 -0.182175D+04  0.185007D+04
               176           177           178           179           180 
      1   0.711621D+01 -0.840149D+01 -0.133629D+02  0.540190D+01 -0.173623D+01
      2  -0.674171D+02  0.185064D+01 -0.583879D+01  0.116711D+02  0.583132D+02
      3  -0.149599D+02 -0.785670D+04 -0.157413D+04 -0.155325D+03 -0.331688D+04
               181           182           183           184           185 
      1   0.169310D+02 -0.667277D+01  0.278282D+01 -0.659028D+01 -0.202729D+01
      2  -0.742430D+02 -0.754801D+01  0.339401D+02  0.409308D+02  0.164073D+02
      3   0.691300D+03 -0.561406D+02  0.152485D+04 -0.265986D+04  0.579511D+02
               186           187           188           189           190 
      1   0.119276D+02  0.330872D+02  0.481267D+01 -0.336270D+01 -0.504068D+02
      2  -0.395166D+01 -0.284359D+02 -0.189960D+02 -0.691443D+00  0.515010D+02
      3   0.235939D+04  0.297156D+04  0.203425D+03 -0.202537D+04 -0.364823D+04
               191           192           193           194           195 
      1   0.698088D+01 -0.596521D+02  0.125335D+03  0.965949D+01  0.123295D+03
      2  -0.260190D+01  0.246711D+01 -0.309849D+03  0.104056D+01 -0.861788D+03
      3   0.116333D+01  0.169054D+01  0.139809D+05  0.199794D+03  0.177067D+05
               196           197           198           199           200 
      1   0.467219D+02  0.290318D+01  0.369181D+02  0.801148D+01  0.725361D+01
      2  -0.794221D+03 -0.217979D+02  0.126519D+03  0.294532D+02  0.184785D+01
      3   0.174599D+04 -0.666253D+03  0.440534D+03  0.499090D+03  0.128943D+03
               201           202           203           204           205 
      1   0.642587D+01 -0.267850D+01 -0.244256D+01 -0.496439D+01 -0.897538D+01
      2   0.272480D+02 -0.879424D+01 -0.256563D+01 -0.149105D+02 -0.809748D+01
      3   0.606523D+02 -0.555336D+03 -0.133091D+03 -0.242740D+03 -0.133835D+04
               206           207           208           209           210 
      1   0.591807D+01 -0.265641D+01 -0.313918D+02 -0.781796D+01 -0.534579D+01
      2   0.221170D+02 -0.151433D+02  0.282637D+03  0.486351D+02 -0.269155D+02
      3  -0.166650D+03  0.122435D+03 -0.230309D+04 -0.277305D+03 -0.121541D+04
               211           212           213           214           215 
      1  -0.276709D+02  0.754746D+01 -0.398404D+01 -0.373039D+01  0.310266D+01
      2   0.176569D+03  0.218689D+02 -0.766606D+02 -0.666105D+02 -0.206386D+02
      3  -0.175425D+04 -0.336955D+03 -0.116255D+04 -0.576698D+03  0.237726D+02
               216           217           218           219           220 
      1  -0.145185D+02 -0.129309D+02  0.312009D+01  0.286553D+01  0.800070D+01
      2   0.778074D+02  0.282129D+02  0.463271D+01  0.108780D+01  0.184971D+02
      3   0.339507D+04  0.249452D+03  0.126584D+02 -0.214820D+04  0.593961D+02
               221           222           223           224           225 
      1  -0.365299D+00 -0.176909D+02  0.561856D+01 -0.671801D+01  0.673595D+01
      2   0.172276D+02 -0.603424D+01 -0.199829D+02 -0.169960D+02 -0.901660D+01
      3   0.288185D+02 -0.792239D+03  0.145392D+03 -0.118337D+02 -0.547555D+03
               226           227           228           229           230 
      1  -0.833013D+01  0.432368D+01  0.509220D+01 -0.104061D+01 -0.320995D+01
      2  -0.230706D+02 -0.802441D+01 -0.616472D+01  0.105492D+03  0.334438D+02
      3  -0.817000D+03 -0.180247D+03 -0.682364D+03 -0.342600D+03  0.859952D+02
               231           232           233           234           235 
      1   0.194814D+01  0.534353D+01  0.365317D+01  0.187886D+01  0.182957D+02
      2  -0.248898D+02 -0.948806D+01 -0.206374D+02 -0.124084D+02 -0.760999D+02
      3   0.345707D+04 -0.569275D+03 -0.956645D+02  0.134987D+04  0.941481D+03
               236           237           238           239           240 
      1  -0.462504D+01 -0.730320D+01  0.339476D+01  0.101372D+02 -0.224218D+01
      2  -0.879097D+01  0.470296D+01 -0.494851D+02 -0.182764D+02  0.251366D+02
      3   0.266499D+02 -0.182306D+04 -0.837635D+03 -0.160232D+03  0.257056D+04
               241           242           243           244           245 
      1  -0.153316D+02  0.104853D+02 -0.194762D+02  0.420650D+02 -0.431661D+01
      2   0.542783D+02  0.983939D+00  0.365719D+02 -0.329335D+03 -0.649052D+02
      3   0.251219D+02  0.718798D+02 -0.268514D+04 -0.292966D+04 -0.197733D+04
               246           247           248           249           250 
      1  -0.130708D+02  0.165220D+03 -0.470087D+00  0.820058D+02 -0.112736D+03
      2   0.781272D+03 -0.145251D+04 -0.754460D+02  0.233045D+03  0.375535D+03
      3   0.369317D+04 -0.195722D+05  0.337594D+04  0.620488D+05  0.894701D+03
               251           252           253           254           255 
      1   0.101173D+02  0.740137D+02 -0.260399D+02 -0.511070D+01 -0.108540D+02
      2   0.116171D+01 -0.669946D+02  0.309661D+03  0.309651D+02  0.439323D+01
      3  -0.426779D+03  0.716427D+04  0.357785D+04  0.283687D+03 -0.113185D+05
               256           257           258           259           260 
      1  -0.182763D+02  0.372563D+01  0.304739D+02  0.298650D+02  0.201041D+02
      2   0.154210D+03 -0.256630D+02  0.532734D+02  0.269851D+03 -0.463868D+02
      3   0.395254D+04 -0.137076D+04 -0.396114D+04  0.178827D+04  0.743968D+03
               261           262           263           264           265 
      1  -0.355401D+02 -0.305261D+02 -0.284056D+00  0.122468D+02  0.351366D+02
      2   0.636546D+02  0.934834D+02  0.123436D+02  0.108320D+02 -0.142149D+03
      3  -0.557429D+03 -0.211062D+03 -0.366516D+03 -0.565206D+04 -0.249976D+03
               266           267           268           269           270 
      1  -0.274299D+01 -0.196591D+02  0.284406D+02 -0.456458D+01 -0.172456D+02
      2  -0.220132D+02 -0.313594D+01 -0.172217D+03 -0.137085D+02 -0.202018D+02
      3   0.392150D+03  0.742639D+04 -0.165346D+03  0.215871D+03  0.723369D+04
               271           272           273           274           275 
      1  -0.426065D+03 -0.293842D+02 -0.395586D+02  0.297215D+03  0.258992D+02
      2   0.432860D+04  0.454996D+03 -0.758472D+03 -0.390062D+04 -0.489793D+03
      3   0.449232D+05 -0.252384D+03 -0.184411D+06  0.450728D+04 -0.500455D+04
               276           277           278           279           280 
      1  -0.313533D+02 -0.797396D+02 -0.187039D+02 -0.524467D+02 -0.119962D+02
      2   0.278083D+03  0.276015D+03  0.206036D+03 -0.319738D+03  0.265646D+03
      3   0.178344D+06  0.400788D+02 -0.168415D+03 -0.887086D+05  0.130474D+04
               281           282           283           284           285 
      1   0.139296D+01  0.443775D+00  0.841113D+01  0.217334D+01 -0.549648D+01
      2   0.112990D+02  0.441641D+02 -0.172382D+03  0.510193D+00 -0.314253D+02
      3   0.127831D+02 -0.878200D+04 -0.192368D+04 -0.415090D+01  0.544844D+04
               286           287           288           289           290 
      1  -0.131006D+02 -0.224678D+01  0.120901D+02 -0.163509D+01 -0.644292D+00
      2   0.214789D+03  0.185256D+02  0.260824D+02  0.148391D+02  0.788639D+01
      3   0.100957D+04  0.572301D+02 -0.800599D+04 -0.121538D+04  0.174069D+03
               291           292           293           294           295 
      1  -0.865028D+01  0.185968D+01 -0.135568D+01 -0.245225D+02 -0.300644D+01
      2   0.133079D+01 -0.333523D+02  0.798697D+01  0.697248D+01 -0.183424D+02
      3  -0.732642D+02 -0.143858D+04  0.130491D+03  0.113215D+04  0.372369D+03
               296           297           298           299           300 
      1  -0.370152D+01  0.891573D+01  0.223252D+01  0.722081D+00 -0.863757D+01
      2  -0.183929D+01 -0.368658D+01 -0.141581D+02 -0.804969D+01  0.113125D+01
      3  -0.367862D+02 -0.144020D+02 -0.122622D+04  0.172317D+03  0.909993D+02
               301           302           303           304           305 
      1   0.698334D+00  0.153645D+01 -0.247412D+02 -0.214885D+01 -0.365148D+01
      2   0.338193D+02 -0.808140D+01  0.771379D+01 -0.188776D+02 -0.188417D+01
      3  -0.124888D+04  0.135484D+03 -0.113173D+04 -0.366162D+03  0.362726D+02
               306           307           308           309           310 
      1  -0.893085D+01  0.126274D+02 -0.138520D+01  0.205748D+01 -0.795776D+01
      2   0.364016D+01 -0.271628D+03 -0.116111D+02  0.360502D+02  0.178255D+03
      3  -0.150310D+02 -0.867571D+02 -0.374128D+02  0.875676D+04 -0.105243D+04
               311           312           313           314           315 
      1  -0.211174D+01 -0.649376D+01 -0.129724D+02 -0.223895D+01 -0.135332D+02
      2  -0.266022D+00 -0.265002D+02  0.216821D+03  0.186903D+02 -0.185473D+02
      3   0.255248D+02 -0.543077D+04  0.263549D+03 -0.127433D+02 -0.799411D+04
               316           317           318           319           320 
      1  -0.265275D+01  0.558351D+01  0.185272D+01  0.465508D+01  0.401424D+01
      2   0.151434D+02  0.106980D+01 -0.194821D+02 -0.181873D+02 -0.260275D+01
      3  -0.577126D+02 -0.300393D+02 -0.115045D+03  0.455799D+03  0.115406D+03
               321           322           323           324           325 
      1  -0.349982D+01 -0.943969D+01 -0.165339D+00  0.406433D+01  0.367479D+00
      2   0.201294D+02  0.850245D+02  0.164169D+02 -0.367441D+02 -0.912373D+00
      3  -0.206161D+03 -0.356048D+03 -0.653607D+02 -0.134474D+04 -0.491439D+02
               326           327           328           329           330 
      1   0.652654D+00  0.511552D+01 -0.178563D+01 -0.139508D+01 -0.148404D+01
      2  -0.115993D+02 -0.113341D+02  0.122200D+02  0.898331D+01  0.723350D+01
      3   0.126301D+02  0.488412D+03  0.385580D+02  0.323304D+02 -0.268132D+03
               331           332           333           334           335 
      1   0.537227D+01  0.172403D+00 -0.994032D+01 -0.182035D+01  0.368009D+01
      2  -0.251386D+02  0.647932D+01  0.408973D+02  0.149106D+01  0.545821D+00
      3   0.183501D+03  0.641191D+02 -0.958939D+03  0.156796D+03 -0.100680D+02
               336           337           338           339           340 
      1   0.324868D+01  0.637493D+01  0.101647D+01  0.608400D+01  0.291449D+01
      2   0.681506D+01 -0.394368D+01  0.104447D+01 -0.982005D-01  0.211600D+02
      3  -0.297883D+02  0.395244D+03  0.677386D+02  0.543997D+03  0.444895D+03
               341           342           343           344           345 
      1   0.557806D+00  0.405365D+01 -0.222879D+01 -0.286717D+01 -0.331500D+00
      2   0.138923D+01  0.305265D+01  0.130723D+02  0.546044D+01 -0.136515D+02
      3   0.697180D+02 -0.952125D+02 -0.406406D+02 -0.210929D+00 -0.400325D+03
               346           347           348           349           350 
      1  -0.653332D+00 -0.577701D+01  0.186362D+01 -0.280374D+01  0.565227D+01
      2  -0.103256D+02  0.100623D+02 -0.142754D+02 -0.154851D+01 -0.136700D+02
      3  -0.866345D+02  0.184097D+02  0.538433D+03 -0.145251D+03 -0.317144D+02
               351           352           353           354           355 
      1  -0.895712D+01 -0.127149D+01  0.135051D+00  0.982055D+01  0.583485D+01
      2   0.351953D+02  0.196162D+01  0.875469D+00 -0.111648D+02 -0.806578D+01
      3  -0.231493D+03  0.857698D+03  0.715294D+02  0.159626D+03  0.616101D+03
               356           357           358           359           360 
      1  -0.125307D+01  0.467031D+00 -0.598114D+01  0.202766D+01 -0.652535D+01
      2  -0.804246D+00 -0.647773D+01 -0.591839D+00 -0.422730D+01  0.532560D+01
      3   0.617514D+02  0.918970D+03 -0.700259D+03 -0.572152D+02 -0.662528D+03
               361           362           363           364           365 
      1   0.104788D+02  0.367897D+01  0.511690D+01  0.516310D+01  0.361382D+01
      2  -0.225891D+02 -0.519518D+01 -0.257874D+02 -0.191525D+02 -0.760663D+01
      3   0.293343D+03  0.489481D+02  0.369102D+03  0.215937D+02 -0.164834D+00
               366           367           368           369           370 
      1   0.295346D+01  0.792330D+00  0.236132D+01  0.426666D+01  0.220899D+01
      2  -0.125782D+02 -0.575093D+01 -0.256613D+01 -0.293938D+01 -0.103403D+02
      3   0.778284D+03  0.318979D+03  0.153330D+02 -0.385535D+02  0.202874D+03
               371           372           373           374           375 
      1  -0.639299D+00  0.150074D+01 -0.180451D+01 -0.121198D+02  0.740189D+01
      2   0.992855D+00 -0.498969D+01  0.192938D+01 -0.117916D+02  0.163784D+02
      3   0.141703D+02  0.158739D+03  0.137479D+03 -0.151885D+02 -0.663325D+02
               376           377           378           379           380 
      1   0.121926D+01  0.810540D+01 -0.690934D+01  0.832190D+01 -0.696949D+01
      2  -0.334292D+01  0.101409D+02 -0.206819D+02 -0.367926D+01  0.880404D+00
      3  -0.887787D+00  0.117004D+02 -0.197333D+02  0.886808D+02 -0.146694D+02
               381           382           383           384           385 
      1  -0.242558D+01 -0.800337D+01  0.108502D+02  0.735794D+01 -0.517923D+01
      2   0.847258D+00  0.272001D+01 -0.571782D+01 -0.827494D+01  0.620964D+01
      3   0.489304D+03 -0.796385D+02  0.250006D+02  0.513763D+03 -0.351486D+02
               386           387           388           389           390 
      1   0.635490D+01  0.481577D+01 -0.466281D+01 -0.157253D+01 -0.434306D+01
      2  -0.240879D+01 -0.566755D+01  0.107957D+02  0.556669D+01  0.181072D+02
      3   0.194922D+02  0.418600D+03 -0.134399D+03 -0.112606D+02  0.301579D+03
               391           392           393           394           395 
      1  -0.278705D+01 -0.171580D+01 -0.496085D+01 -0.331178D+01 -0.164648D+01
      2   0.189369D+01  0.517886D+01  0.123252D+02  0.102145D+02  0.925129D+01
      3  -0.473299D+02 -0.141647D+02 -0.488105D+02  0.949035D+02  0.126660D+01
               396           397           398           399           400 
      1  -0.933804D+01  0.859108D+01 -0.313044D+01 -0.102367D+01 -0.378758D+01
      2   0.342808D+02 -0.195531D+02 -0.148622D+01  0.480302D+01 -0.272434D+02
      3  -0.839500D+02  0.284427D+03 -0.361696D+02 -0.137972D+04 -0.379153D+02
               401           402           403           404           405 
      1   0.492455D+01  0.977824D+00 -0.540311D+01  0.250914D+01  0.164520D+01
      2  -0.774874D+01 -0.328085D+01  0.495375D+01 -0.138040D+01 -0.592293D+00
      3   0.223118D+02 -0.114601D+03 -0.175601D+03 -0.485352D+01  0.175479D+03
               406           407           408           409           410 
      1   0.148146D+01 -0.312034D+00  0.222158D+01 -0.927553D+00 -0.283349D+01
      2   0.295659D+01  0.241177D+00 -0.201873D+01 -0.448250D+01 -0.157365D+02
      3   0.266382D+03  0.650806D+02  0.254939D+03  0.617518D+02 -0.220539D+02
               411           412           413           414           415 
      1  -0.632767D+00 -0.236621D+01  0.119600D+01  0.119855D+01 -0.653698D+01
      2   0.166918D+02  0.896514D+01  0.153930D+02 -0.143104D+02  0.117809D+02
      3  -0.161879D+03 -0.137988D+03  0.613417D+01 -0.246191D+02 -0.150677D+03
               416           417           418           419           420 
      1   0.529853D+01  0.651310D+01  0.616379D+01 -0.724554D+01 -0.463167D+01
      2  -0.892499D+00 -0.167255D+01 -0.782120D+01  0.308265D+01  0.236005D+01
      3   0.258703D+02  0.728443D+03 -0.271710D+03 -0.249762D+02  0.905574D+03
               421           422           423           424           425 
      1   0.710686D+01 -0.547685D+01 -0.477332D+01 -0.385007D+01 -0.104742D+01
      2  -0.212309D+02  0.387922D+01 -0.237873D+01  0.201231D+02  0.437670D+01
      3   0.143421D+02  0.116515D+01  0.216644D+03  0.154202D+03  0.189122D+02
               426           427           428           429           430 
      1  -0.309739D+01  0.881702D+00 -0.270078D+01 -0.404325D+00 -0.320294D+01
      2   0.152452D+01 -0.316467D+01  0.275366D+01 -0.371494D+01  0.610286D+01
      3  -0.597278D+02  0.233175D+03  0.194583D+02 -0.105391D+04 -0.182960D+03
               431           432           433           434           435 
      1  -0.197544D+01  0.780963D+00  0.532857D+01 -0.685944D+00  0.860251D+01
      2   0.394965D+01  0.481644D+00 -0.240843D+02  0.357496D+00 -0.588268D+01
      3  -0.246162D+02  0.569030D+03  0.101463D+02  0.313289D+02  0.470414D+03
               436           437           438           439           440 
      1   0.722629D+00  0.254979D+01  0.631371D+00  0.308208D+01 -0.212857D+01
      2  -0.116869D+00 -0.169643D+01 -0.456887D+01 -0.707904D+01  0.607141D+01
      3   0.371298D+02  0.249925D+01  0.346169D+02  0.137623D+02 -0.592157D+01
               441           442           443           444           445 
      1   0.225573D+02 -0.245303D+01  0.605894D+00  0.142965D+01  0.141393D+01
      2  -0.151395D+02  0.106805D+02 -0.999364D+00 -0.478095D+01 -0.178416D+01
      3   0.407362D+03  0.223252D+03  0.149249D+02 -0.155863D+03  0.121669D+03
               446           447           448           449           450 
      1   0.121216D+02  0.739800D+01  0.786747D+00  0.806632D+01  0.691111D+01
      2   0.118139D+02  0.163566D+02 -0.327766D+01  0.101310D+02  0.205464D+02
      3  -0.156618D+02  0.726342D+02  0.984047D+01 -0.107401D+02 -0.213347D+02
               451           452           453           454           455 
      1  -0.111246D+02 -0.371748D+01  0.503710D+01 -0.546769D+01 -0.363089D+01
      2   0.245963D+02  0.527591D+01 -0.252142D+02  0.204635D+02  0.768879D+01
      3   0.351332D+03  0.519510D+02 -0.357845D+03  0.138494D+03  0.379612D+01
               456           457           458           459           460 
      1   0.279761D+01  0.115615D+01  0.238287D+01 -0.431183D+01 -0.873760D+01
      2  -0.117590D+02 -0.531689D+01 -0.249742D+01  0.301346D+01  0.482815D+01
      3  -0.780455D+03 -0.307927D+03 -0.144003D+02 -0.366249D+02  0.167274D+03
               461           462           463           464           465 
      1   0.691624D+01 -0.252229D+01  0.802013D+01 -0.108071D+02  0.727617D+01
      2  -0.836079D+00  0.144645D+01 -0.233629D+01  0.572470D+01 -0.768067D+01
      3  -0.121781D+02 -0.490575D+03 -0.506571D-01  0.268295D+02 -0.518735D+03
               466           467           468           469           470 
      1  -0.522458D+01  0.638506D+01 -0.472104D+01 -0.181228D+01  0.289899D+00
      2   0.616231D+01 -0.244300D+01  0.528374D+01 -0.311075D+01 -0.307159D+00
      3  -0.334462D+02 -0.219742D+02  0.421441D+03  0.316037D+03  0.683519D+02
               471           472           473           474           475 
      1   0.217540D+01  0.608558D+00  0.283049D+01 -0.590089D+00 -0.256572D+01
      2  -0.172210D+01  0.422942D+01  0.157438D+02  0.165888D+02  0.919941D+01
      3  -0.218011D+03  0.318075D+02 -0.234706D+02  0.165668D+03  0.141586D+03
               476           477           478           479           480 
      1   0.119940D+01 -0.119476D+01 -0.876344D+01  0.314387D+01 -0.717698D+00
      2   0.154102D+02  0.143592D+02  0.200268D+02  0.145590D+01  0.315601D+01
      3  -0.604819D+01 -0.180617D+02  0.815333D+02 -0.426862D+02  0.137287D+04
               481           482           483           484           485 
      1   0.394178D+01 -0.492473D+01  0.105639D+01 -0.544707D+01  0.253972D+01
      2   0.267698D+02  0.775069D+01 -0.361301D+01  0.562380D+01 -0.138663D+01
      3  -0.536732D+02  0.213377D+02  0.111699D+03  0.150481D+03  0.394826D+01
               486           487           488           489           490 
      1  -0.163547D+01  0.476554D+01  0.156852D+01 -0.442888D+01  0.287363D+01
      2   0.589062D+00 -0.114570D+02 -0.563718D+01  0.183407D+02 -0.213079D+01
      3   0.173245D+03 -0.836341D+02 -0.946783D+01 -0.311806D+03 -0.541885D+02
               491           492           493           494           495 
      1   0.171540D+01 -0.495007D+01 -0.320022D+01 -0.163536D+01  0.930609D+01
      2  -0.516560D+01  0.121842D+02  0.103023D+02  0.923908D+01 -0.340733D+02
      3  -0.145405D+02  0.465993D+02 -0.859375D+02 -0.155945D+01 -0.901619D+02
               496           497           498           499           500 
      1   0.106444D+01 -0.374620D+01  0.333183D+01 -0.739465D+01 -0.107586D+01
      2  -0.108359D+01 -0.463849D+00  0.667618D+01  0.344685D+01 -0.104910D+01
      3   0.169159D+03 -0.915116D+01  0.252008D+02  0.477169D+03  0.719019D+02
               501           502           503           504           505 
      1   0.598204D+01  0.360327D+01  0.588518D+00 -0.405899D+01  0.250808D+01
      2   0.573972D+00  0.222335D+02  0.143026D+01 -0.308800D+01 -0.126822D+02
      3  -0.535690D+03 -0.428516D+03 -0.695098D+02 -0.108032D+03 -0.107219D+03
               506           507           508           509           510 
      1   0.288625D+01 -0.284915D+00  0.841491D+00  0.579184D+01  0.177923D+01
      2  -0.543883D+01 -0.139345D+02  0.995011D+01 -0.100920D+02 -0.138728D+02
      3  -0.217977D+01  0.403546D+03  0.886685D+00  0.211493D+02 -0.543451D+03
               511           512           513           514           515 
      1  -0.306557D+01  0.561829D+01  0.894081D+01  0.462225D-01 -0.626938D+00
      2  -0.223181D+01 -0.137022D+02 -0.350053D+02 -0.644469D+00  0.115064D+02
      3   0.182976D+03  0.331760D+02 -0.224730D+03  0.211972D+02  0.145494D+02
               516           517           518           519           520 
      1   0.501486D+01  0.175221D+01  0.140098D+01 -0.143735D+01  0.509551D+01
      2  -0.108488D+02 -0.122411D+02 -0.901205D+01  0.700046D+01 -0.225073D+02
      3  -0.491615D+03 -0.643500D+01  0.313057D+02  0.275296D+03 -0.319467D+02
               521           522           523           524           525 
      1   0.145045D+00  0.976488D+01  0.194485D+01 -0.561542D+01  0.188089D+01
      2   0.669687D+01 -0.401209D+02 -0.118001D+02 -0.944303D+00 -0.196900D+02
      3  -0.595441D+02 -0.976465D+03 -0.852589D+02 -0.310560D+02  0.134318D+03
               526           527           528           529           530 
      1  -0.462829D+01 -0.400196D+01 -0.342900D+01 -0.879198D+01 -0.149104D+00
      2   0.152046D+02  0.232852D+01  0.197149D+02  0.780466D+02  0.161199D+02
      3   0.418351D+03  0.113700D+03  0.208405D+03  0.570660D+03  0.717314D+02
               531           532           533           534           535 
      1  -0.431042D+01  0.238795D+00 -0.169488D+00  0.971844D+01 -0.609708D+01
      2   0.378212D+02 -0.531712D+00 -0.863559D+00 -0.106967D+02  0.696695D+01
      3  -0.135178D+04  0.875381D+03  0.737646D+02 -0.150056D+03  0.748445D+03
               536           537           538           539           540 
      1   0.125057D+01  0.210099D+00 -0.668381D+01  0.200188D+01  0.642359D+01
      2   0.738555D+00 -0.536735D+01 -0.645386D-01 -0.423280D+01 -0.483322D+01
      3   0.660478D+02 -0.910298D+03  0.815702D+03  0.627425D+02 -0.663327D+03
               541           542           543           544           545 
      1   0.371235D+01  0.103728D+01 -0.307532D+01 -0.137737D+01  0.265439D+01
      2  -0.198006D+02 -0.437054D+01  0.142020D+01  0.414584D+01 -0.268165D+01
      3   0.145256D+03  0.174497D+02  0.495870D+02  0.615361D+02  0.132850D+02
               546           547           548           549           550 
      1  -0.241643D+00 -0.328872D+01 -0.198320D+01 -0.657491D+00  0.667514D+01
      2  -0.474996D+01  0.615310D+01  0.395151D+01 -0.106742D+01 -0.116539D+02
      3   0.104714D+04  0.840418D+02  0.206554D+02  0.557242D+03 -0.352005D+02
               551           552           553           554           555 
      1  -0.529597D+01  0.639221D+01 -0.632419D+01  0.725134D+01 -0.481446D+01
      2   0.930722D+00 -0.105857D+01  0.778537D+01 -0.310857D+01  0.328618D+01
      3   0.303910D+02 -0.738890D+03 -0.123004D+03 -0.201853D+02 -0.900740D+03
               556           557           558           559           560 
      1   0.735954D+01 -0.548427D+01  0.484445D+01 -0.533092D+01  0.694012D+00
      2  -0.219646D+02  0.388494D+01  0.216808D+01  0.233057D+02 -0.432686D+00
      3  -0.519142D+02 -0.233722D+01  0.210059D+03  0.847840D+02  0.343559D+02
               561           562           563           564           565 
      1   0.853278D+01 -0.903849D+00 -0.255916D+01  0.612408D+00  0.287932D+01
      2  -0.542945D+01  0.116179D+01  0.176133D+01 -0.454525D+01 -0.607722D+01
      3  -0.455500D+03  0.429847D+02  0.306950D+01 -0.416900D+02 -0.772684D+02
               566           567 
      1  -0.214499D+01 -0.224509D+02
      2   0.612358D+01  0.147531D+02
      3   0.387143D+01  0.396517D+03
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.128388D+03 -0.155265D+02  0.370339D+02 -0.868247D+01  0.286567D+02
      2   0.774302D+02  0.184536D+02 -0.147759D+02  0.332228D+01 -0.180683D+02
      3   0.509574D+02 -0.292703D+01 -0.222580D+02  0.536019D+01 -0.105885D+02
      4  -0.685908D+00  0.175018D+02  0.789947D+01  0.763695D+01 -0.140131D+02
      5   0.501302D+02  0.879526D+01  0.119962D+02 -0.125446D+01 -0.272737D+00
      6   0.228329D+00 -0.500647D+01 -0.167590D+01 -0.388278D+01  0.319137D+01
                 6             7             8             9            10 
      1   0.698592D+01 -0.156074D+02  0.479125D+01  0.305619D+02 -0.271160D+02
      2   0.713117D+01  0.190420D+02  0.807889D+01 -0.117105D+02  0.212783D+02
      3  -0.141171D+02 -0.343458D+01 -0.128701D+02 -0.188514D+02  0.583772D+01
      4   0.906482D+01  0.230531D+02 -0.108960D+01  0.382772D+02  0.362868D+02
      5   0.359211D+02  0.297379D+02  0.346367D+02 -0.536174D+01 -0.557569D+01
      6  -0.478553D+00  0.390255D+01  0.353591D+01 -0.114664D+02 -0.161043D+00
                11            12            13            14            15 
      1   0.980135D+01  0.559648D+01  0.247419D+02 -0.438379D+02  0.223794D+02
      2  -0.123045D+01 -0.574371D+01 -0.839476D+01  0.256826D+02 -0.213459D+02
      3  -0.857090D+01  0.147231D+00 -0.163471D+02  0.181553D+02 -0.103355D+01
      4  -0.345617D+02 -0.271250D+02 -0.119555D+03  0.488742D+01 -0.766934D+02
      5   0.124236D+02 -0.263601D+02  0.219372D+02 -0.203557D+02 -0.526895D+02
      6   0.317238D+01 -0.227638D+01 -0.241650D+00 -0.121742D+01 -0.106866D+02
                16            17            18            19            20 
      1   0.242636D+02  0.928900D+01 -0.350620D+02  0.145871D+03  0.585745D+02
      2  -0.256070D+02 -0.956866D+01  0.208284D+02 -0.866765D+02 -0.454333D+02
      3   0.134345D+01  0.279662D+00  0.142336D+02 -0.591941D+02 -0.131412D+02
      4  -0.550962D+02 -0.184976D+02 -0.878955D+02 -0.390845D+02  0.849600D+02
      5  -0.602606D+02 -0.344977D+02  0.679424D+01 -0.442954D+01  0.159070D+01
      6  -0.763413D+01 -0.706367D+01 -0.229019D+00  0.149701D+02 -0.557902D+01
                21            22            23            24            25 
      1  -0.361580D+02 -0.507459D+02  0.278718D+02  0.456628D+02 -0.179526D+02
      2   0.214005D+02  0.585444D+02 -0.775399D+01 -0.627766D+02  0.115279D+02
      3   0.147575D+02 -0.779849D+01 -0.201178D+02  0.171139D+02  0.642473D+01
      4   0.198233D+01  0.446886D+03  0.840696D+02 -0.409105D+03 -0.436177D+02
      5   0.192862D+02 -0.147243D+02  0.959430D+01  0.484155D+02  0.648593D+02
      6  -0.269204D+01 -0.496646D+01  0.543709D-01  0.189795D+02  0.137325D+02
                26            27            28            29            30 
      1  -0.405473D+01  0.172373D+02 -0.124310D+03  0.162226D+02  0.496394D+02
      2   0.380235D+01 -0.216049D+02  0.259890D+02 -0.241133D+02 -0.468210D+02
      3   0.252384D+00  0.436761D+01  0.983212D+02  0.789069D+01 -0.281840D+01
      4   0.268392D+02  0.345950D+02 -0.224429D+03 -0.250690D+02 -0.166547D+02
      5   0.167262D+02  0.898094D+01  0.465882D+01 -0.436122D+01 -0.152206D+02
      6   0.861670D+01 -0.830167D+00 -0.529690D+02 -0.101703D+02 -0.631392D+01
                31            32            33            34            35 
      1   0.204486D+03  0.555133D+02 -0.295975D+03  0.705175D+02 -0.256906D+01
      2  -0.211940D+03 -0.592553D+02  0.311055D+03 -0.656444D+02 -0.453113D+01
      3   0.745376D+01  0.374198D+01 -0.150801D+02 -0.487306D+01  0.710019D+01
      4  -0.109050D+04 -0.547324D+02  0.183485D+04 -0.306600D+03 -0.160411D+02
      5   0.434039D+00 -0.345592D+01 -0.320492D+02  0.383570D+02  0.198102D+02
      6   0.122293D+02 -0.113796D+02 -0.345404D+02  0.178088D+02  0.417282D+01
                36            37            38            39            40 
      1  -0.815141D+02 -0.152712D+02  0.110452D+02 -0.283055D+02  0.102111D+03
      2   0.663597D+02  0.505091D+02  0.628242D+01  0.357194D+02 -0.309028D+02
      3   0.151544D+02 -0.352379D+02 -0.173277D+02 -0.741393D+01 -0.712078D+02
      4   0.471217D+03  0.102701D+03  0.305081D+02  0.178701D+03  0.224209D+03
      5   0.129630D+02 -0.278641D+01  0.237911D+02 -0.278768D+02  0.519982D+02
      6  -0.977417D+01  0.241227D+02  0.991762D+01 -0.725471D+01  0.173423D+02
                41            42            43            44            45 
      1   0.146451D+02  0.682396D+02 -0.623744D+02  0.332805D+02 -0.543033D+02
      2   0.126656D+01 -0.626298D+02  0.458100D+02 -0.288874D+02  0.482476D+02
      3  -0.159117D+02 -0.560974D+01  0.165644D+02 -0.439311D+01  0.605572D+01
      4   0.368702D+02 -0.250114D+03  0.149536D+03  0.329661D+01  0.841796D+02
      5  -0.116483D+02  0.250023D+02 -0.944243D+02 -0.230840D+02  0.136991D+02
      6  -0.365266D+01  0.847873D+01 -0.402941D+02 -0.849578D+01  0.177709D+02
                46            47            48            49            50 
      1   0.148559D+02 -0.236917D+02  0.215848D+02 -0.257912D+02 -0.407988D+02
      2  -0.258201D+02 -0.664492D+01 -0.186284D+01 -0.472531D+01  0.171380D+02
      3   0.109642D+02  0.303366D+02 -0.197219D+02  0.305166D+02  0.236607D+02
      4  -0.105074D+03 -0.603219D+02  0.305527D+02 -0.117098D+03 -0.301857D+02
      5   0.309310D+02  0.762169D+01  0.216301D+02  0.199204D+02  0.305351D+02
      6   0.204866D+02  0.102245D+02  0.154743D+02  0.209602D+02  0.131126D+02
                51            52            53            54            55 
      1  -0.144353D+02 -0.133320D+01 -0.215028D+02  0.315258D+02 -0.444198D+02
      2   0.120174D+02  0.896771D+01  0.134223D+02 -0.160295D+02  0.405936D+01
      3   0.241796D+01 -0.763451D+01  0.808045D+01 -0.154962D+02  0.403604D+02
      4   0.462985D+02 -0.204360D+02 -0.848751D+01  0.870022D+02 -0.308260D+02
      5  -0.251597D+01  0.436534D+02  0.506135D+01 -0.228396D+02  0.154912D+02
      6  -0.824865D+01  0.217575D+02 -0.414202D+01 -0.524332D+01 -0.950798D+01
                56            57            58            59            60 
      1  -0.689461D+02  0.149497D+02 -0.140087D+03  0.450746D+01 -0.571305D+02
      2   0.426403D+02 -0.179333D+02  0.788051D+02 -0.122482D+02  0.456716D+02
      3   0.263058D+02  0.298365D+01  0.612816D+02  0.774072D+01  0.114589D+02
      4  -0.207257D+01  0.281203D+02  0.814806D+01  0.869363D+01  0.212482D+03
      5  -0.254114D+02  0.486925D+02 -0.567405D+02  0.284771D+02  0.288205D+02
      6  -0.184276D+01  0.538571D+01 -0.711635D+01  0.189192D+01  0.143359D+02
                61            62            63            64            65 
      1   0.438682D+02 -0.236262D+02  0.662673D+02  0.346881D+03  0.194785D+02
      2  -0.298924D+02  0.167873D+02 -0.348684D+02 -0.275184D+03 -0.110570D+02
      3  -0.139758D+02  0.683897D+01 -0.313989D+02 -0.716977D+02 -0.842148D+01
      4   0.506211D+02  0.378840D+02 -0.380252D+02 -0.136168D+04 -0.817085D+02
      5   0.685328D+02  0.269112D+02  0.351604D+00  0.207831D+03  0.150357D+02
      6   0.127209D+02  0.114469D+02  0.607454D+01  0.137977D+03  0.131385D+02
                66            67            68            69            70 
      1  -0.749324D+03 -0.449030D+02 -0.212631D+02 -0.475841D+03  0.319629D+02
      2   0.855038D+03  0.674531D+02  0.276297D+02  0.569655D+03 -0.247605D+02
      3  -0.105714D+03 -0.225501D+02 -0.636660D+01 -0.938145D+02 -0.720238D+01
      4   0.566229D+04  0.675533D+03  0.102655D+03  0.404849D+04 -0.384825D+02
      5  -0.179055D+02  0.180190D+03  0.218184D+02  0.215341D+02  0.143037D+03
      6  -0.376637D+02  0.590422D+02  0.790290D+01  0.223115D+02  0.685506D+02
                71            72            73            74            75 
      1  -0.178765D+01 -0.291487D+02 -0.257960D+03 -0.323674D+02 -0.106725D+01
      2   0.178939D+01  0.629575D+02  0.159443D+03  0.316082D+02  0.105507D+01
      3  -0.173768D-02 -0.338088D+02  0.985173D+02  0.759152D+00  0.121806D-01
      4   0.124561D+02  0.593033D+03  0.790104D+03  0.224690D+03  0.730549D+01
      5   0.144800D+02 -0.991524D+01 -0.504935D+01 -0.797900D-01  0.355837D+02
      6   0.116826D+02  0.970739D-02 -0.324148D+01 -0.712409D+00  0.122004D+02
                76            77            78            79            80 
      1   0.121427D+02 -0.263851D+02 -0.170266D+01  0.323742D+02  0.122981D+01
      2  -0.901284D+02  0.141991D+02  0.187266D+01 -0.273948D+02 -0.108934D+01
      3   0.779857D+02  0.121860D+02 -0.170000D+00 -0.497936D+01 -0.140470D+00
      4  -0.126655D+04  0.225207D+02  0.134102D+02 -0.139366D+03 -0.572617D+01
      5  -0.119149D+01 -0.707508D-01  0.209932D+02 -0.216667D+03 -0.546620D+01
      6   0.553629D+01  0.512378D-01 -0.362565D+02 -0.100878D+03 -0.129220D+00
                81            82            83            84            85 
      1  -0.435946D+03 -0.222913D+02 -0.607648D+02 -0.608341D+03 -0.472253D+02
      2   0.342058D+03  0.705249D+02  0.529916D+02  0.628489D+03  0.771377D+02
      3   0.938882D+02 -0.482337D+02  0.777312D+01 -0.201479D+02 -0.299125D+02
      4   0.176012D+04  0.307691D+03 -0.351058D+02  0.429108D+04  0.841034D+03
      5   0.664092D+00  0.164954D+03  0.157337D+02  0.576429D+02 -0.146455D+03
      6  -0.387244D+01  0.107893D+03  0.770617D+01  0.213852D+02 -0.681173D+02
                86            87            88            89            90 
      1   0.515573D+01  0.506692D+03 -0.607514D+02 -0.397357D+01  0.347221D+03
      2  -0.236129D+01 -0.560813D+03  0.589997D+02  0.128783D+01 -0.344295D+03
      3  -0.279443D+01  0.541218D+02  0.175170D+01  0.268574D+01 -0.292544D+01
      4  -0.961655D+02 -0.416154D+04  0.329245D+03  0.183800D+02 -0.206880D+04
      5  -0.197416D+02 -0.207145D+02 -0.133887D+02 -0.669185D+01 -0.880043D+01
      6   0.210939D-01  0.313094D+02 -0.881027D+01  0.731777D+01  0.103487D+02
                91            92            93            94            95 
      1  -0.428030D+02  0.259098D+02  0.759674D+02 -0.988955D+02 -0.106184D+03
      2  -0.112532D+02 -0.264257D+02 -0.339978D+02  0.765755D+02  0.815342D+02
      3   0.540562D+02  0.515821D+00 -0.419696D+02  0.223200D+02  0.246500D+02
      4   0.490497D+01 -0.824135D+02 -0.999305D+02 -0.359205D+03 -0.625421D+02
      5  -0.151538D+02 -0.468420D+01 -0.586186D+02 -0.702296D+02 -0.148871D+02
      6  -0.493701D+02 -0.983047D+00 -0.683226D+01 -0.125659D+02  0.534164D+00
                96            97            98            99           100 
      1   0.230578D+03 -0.429198D+02 -0.143068D+02 -0.609672D+02 -0.253613D+02
      2  -0.233747D+03  0.249710D+02  0.792128D+01  0.479236D+02  0.338425D+02
      3   0.316855D+01  0.179488D+02  0.638549D+01  0.130436D+02 -0.848114D+01
      4  -0.145002D+04 -0.653340D+02 -0.900187D+01  0.151071D+03  0.640108D+01
      5  -0.315171D+02 -0.188204D+02 -0.251293D+02 -0.129794D+02  0.818744D+01
      6  -0.106114D+02 -0.885148D+01  0.126458D+02  0.387473D+00  0.949257D+01
               101           102           103           104           105 
      1  -0.229184D+02 -0.282680D+02  0.426887D+00  0.522934D+02 -0.358227D+01
      2   0.160428D+02  0.303328D+02 -0.378105D+02 -0.449533D+02  0.121911D+02
      3   0.687563D+01 -0.206482D+01  0.373836D+02 -0.734005D+01 -0.860881D+01
      4  -0.316807D+02  0.263588D+03  0.161814D+03 -0.131694D+02  0.819715D+02
      5  -0.154091D+01 -0.151876D+02  0.229996D+02  0.551770D+00 -0.723257D+01
      6  -0.337387D+01  0.109841D+02 -0.152354D+02  0.226954D+01 -0.396115D+01
               106           107           108           109           110 
      1   0.426421D+02  0.435456D+01 -0.144149D+02  0.320226D+02  0.133026D+02
      2  -0.381553D+02  0.102690D+01  0.454776D+01 -0.205147D+02 -0.206244D+02
      3  -0.448686D+01 -0.538146D+01  0.986714D+01 -0.115079D+02  0.732179D+01
      4  -0.254473D+02 -0.303510D+02 -0.394013D+01 -0.387350D+02  0.311185D+02
      5  -0.205376D+02  0.136767D+02  0.277526D+00  0.208276D+02 -0.265424D+01
      6   0.889315D+01 -0.149116D+02 -0.120630D+00 -0.110967D+02  0.317593D+01
               111           112           113           114           115 
      1  -0.112405D+02 -0.970781D+01 -0.209011D+02  0.300852D+02  0.150544D+02
      2   0.168400D+02  0.589312D+01  0.328057D+02 -0.358165D+02 -0.134852D+02
      3  -0.559944D+01  0.381469D+01 -0.119046D+02  0.573131D+01 -0.156919D+01
      4   0.119815D+03  0.309835D+02 -0.295727D+02 -0.159386D+03 -0.337707D+02
      5   0.112105D+02 -0.132622D+02  0.789279D+01 -0.498324D+01  0.267751D+02
      6  -0.845745D+01  0.385787D+01 -0.121078D+02  0.107372D+02 -0.143623D+02
               116           117           118           119           120 
      1   0.196917D+02 -0.254763D+02 -0.249056D+01 -0.327650D+02  0.128970D+01
      2  -0.242539D+02  0.280034D+02 -0.301602D+02  0.556451D+01 -0.147070D+02
      3   0.456217D+01 -0.252714D+01  0.326508D+02  0.272005D+02  0.134173D+02
      4   0.304958D+02  0.147539D+03 -0.351598D+02 -0.439634D+02  0.345550D+02
      5  -0.139592D+02  0.286196D+02 -0.479596D+01 -0.167101D+02  0.226875D+02
      6   0.198197D+02 -0.280427D+02 -0.506702D+01 -0.156571D+02  0.187904D+02
               121           122           123           124           125 
      1  -0.221561D+02 -0.200980D+02 -0.156861D+02  0.652058D+01 -0.210868D+02
      2   0.113409D+01  0.578094D+01  0.134085D+02 -0.151590D+02  0.276373D+02
      3   0.210220D+02  0.143171D+02  0.227765D+01  0.863847D+01 -0.655045D+01
      4  -0.540551D+02 -0.171159D+02 -0.598268D+02  0.383580D-02  0.124311D+01
      5  -0.178481D+02  0.783671D+01 -0.620110D+01  0.189216D+02 -0.405619D+01
      6  -0.124105D+02  0.146419D+02 -0.173852D+01  0.170620D+02 -0.515197D+01
               126           127           128           129           130 
      1   0.429220D+02  0.185393D+02  0.659559D+02 -0.150898D+02  0.126571D+03
      2  -0.213842D+02  0.230263D+01 -0.402657D+02  0.188790D+02 -0.765645D+02
      3  -0.215378D+02 -0.208419D+02 -0.256902D+02 -0.378926D+01 -0.500067D+02
      4  -0.518377D+02  0.475198D+02 -0.363969D+01  0.367961D+02 -0.168410D+02
      5  -0.181249D+02 -0.103883D+02  0.280591D+02 -0.339732D+02  0.472430D+02
      6  -0.243891D+02  0.107998D+02  0.103419D+01 -0.293256D+01 -0.364219D+01
               131           132           133           134           135 
      1  -0.148395D+02  0.542719D+02 -0.258621D+02  0.295035D+02 -0.466851D+02
      2   0.891179D+01 -0.389351D+02  0.232053D+02 -0.176463D+02  0.142839D+02
      3   0.592775D+01 -0.153369D+02  0.265682D+01 -0.118572D+02  0.324012D+02
      4  -0.215401D+02 -0.116504D+03  0.204819D+02 -0.333396D+02 -0.124976D+02
      5  -0.378460D+02 -0.272911D+02 -0.533685D+02 -0.349318D+02  0.112812D+02
      6  -0.132077D+02 -0.190263D+02 -0.115007D+02 -0.186803D+02 -0.328769D+01
               136           137           138           139           140 
      1   0.345259D+02  0.358886D+02 -0.154252D+02  0.479244D+02  0.368377D+00
      2  -0.709699D+01 -0.260873D+02  0.214047D+02 -0.323571D+02  0.144635D+02
      3  -0.274289D+02 -0.980128D+01 -0.597945D+01 -0.155673D+02 -0.148318D+02
      4   0.406225D+02 -0.534570D+01  0.687988D+02 -0.196537D+02 -0.603274D+01
      5  -0.134759D+01  0.325867D+02 -0.315720D+02  0.348015D+02 -0.427347D+02
      6   0.169441D+02 -0.518233D+01  0.563445D+01 -0.146208D+02 -0.935368D+01
               141           142           143           144           145 
      1   0.318681D+02 -0.277123D+01  0.268871D+02 -0.271802D+02  0.227378D+03
      2  -0.101726D+02  0.137398D+02 -0.704416D+01  0.368288D+01 -0.138953D+03
      3  -0.216955D+02 -0.109685D+02 -0.198430D+02  0.234973D+02 -0.884246D+02
      4  -0.211455D+02  0.130349D+02 -0.245258D+02 -0.335168D+02 -0.459254D+03
      5  -0.115542D+02 -0.328010D+02 -0.133950D+02 -0.725241D+00 -0.202324D+03
      6  -0.314240D+02  0.160741D+01 -0.210416D+02 -0.109814D+02 -0.129846D+03
               146           147           148           149           150 
      1   0.151133D+02  0.749851D+03 -0.120970D+03 -0.238312D+02  0.476533D+03
      2  -0.621507D+01 -0.855701D+03  0.158507D+03  0.306654D+02 -0.570404D+03
      3  -0.889827D+01  0.105850D+03 -0.375362D+02 -0.683420D+01  0.938713D+02
      4  -0.502762D+02 -0.566647D+04  0.132169D+04  0.124163D+03 -0.405365D+04
      5  -0.147927D+02 -0.206158D+02 -0.182441D+03 -0.218884D+02  0.196833D+02
      6  -0.127662D+02 -0.125537D+02 -0.672377D+02 -0.848122D+01  0.403577D+02
               151           152           153           154           155 
      1  -0.276947D+02  0.187526D+01 -0.304391D+02 -0.117693D+03  0.166609D+02
      2   0.148827D+02 -0.199594D+01  0.644434D+02  0.197193D+02 -0.245453D+02
      3   0.128119D+02  0.120683D+00 -0.340043D+02  0.979735D+02  0.788433D+01
      4  -0.571178D+02 -0.146368D+02  0.603214D+03 -0.224054D+03 -0.262338D+02
      5   0.141763D+03  0.144407D+02  0.101421D+02 -0.477854D+01  0.428083D+01
      6   0.688129D+02  0.117128D+02 -0.278865D+01  0.546060D+02  0.103233D+02
               156           157           158           159           160 
      1  -0.501209D+02  0.158530D+03  0.536820D+02  0.296206D+03 -0.574060D+02
      2   0.474725D+02 -0.163596D+03 -0.573495D+02 -0.311280D+03  0.535670D+02
      3   0.264843D+01  0.506591D+01  0.366755D+01  0.150734D+02  0.383898D+01
      4   0.207530D+02 -0.801516D+03 -0.438178D+02 -0.183619D+04  0.236575D+03
      5  -0.150908D+02  0.484732D+01  0.371435D+01 -0.330745D+02  0.395223D+02
      6  -0.626381D+01 -0.433624D+01  0.119187D+02 -0.265332D+02  0.160394D+02
               161           162           163           164           165 
      1   0.301029D+01 -0.816410D+02 -0.177456D+02  0.109812D+02  0.284933D+02
      2   0.411750D+01  0.665108D+02  0.541557D+02  0.637515D+01 -0.358920D+02
      3  -0.712779D+01  0.151301D+02 -0.364101D+02 -0.173563D+02  0.739865D+01
      4   0.132455D+02  0.472357D+03  0.129921D+03  0.315242D+02 -0.179301D+03
      5   0.198791D+02 -0.128213D+02  0.266652D+01 -0.237746D+02 -0.277504D+02
      6   0.404886D+01  0.781151D+01 -0.244280D+02 -0.997268D+01 -0.651610D+01
               166           167           168           169           170 
      1   0.107994D+03  0.149487D+02 -0.683875D+02  0.639879D+02 -0.333309D+02
      2  -0.367415D+02  0.102707D+01  0.627451D+02 -0.484095D+02  0.288406D+02
      3  -0.712529D+02 -0.159758D+02  0.564236D+01 -0.155784D+02  0.449023D+01
      4   0.186648D+03  0.357033D+02  0.250730D+03 -0.167277D+03 -0.412116D+01
      5  -0.524757D+02  0.116766D+02  0.250229D+02 -0.954212D+02 -0.232365D+02
      6  -0.182818D+02  0.353300D+01  0.731552D+01 -0.394598D+02 -0.855348D+01
               171           172           173           174           175 
      1  -0.539732D+02 -0.436791D+02 -0.690551D+02 -0.153281D+02 -0.144085D+03
      2   0.479459D+02  0.414026D+01  0.427137D+02  0.182190D+02  0.832886D+02
      3   0.602726D+01  0.395389D+02  0.263413D+02 -0.289090D+01  0.607960D+02
      4   0.831015D+02 -0.242222D+02 -0.185762D+01 -0.268742D+02  0.368909D+02
      5  -0.136889D+02 -0.159904D+02  0.253633D+02  0.486213D+02  0.560246D+02
      6  -0.182917D+02  0.924050D+01  0.181227D+01  0.558570D+01  0.693748D+01
               176           177           178           179           180 
      1   0.435228D+01  0.570382D+02 -0.459308D+02  0.234632D+02  0.662426D+02
      2  -0.120416D+02 -0.455390D+02  0.318826D+02 -0.166054D+02 -0.348325D+02
      3   0.768930D+01 -0.114993D+02  0.140482D+02 -0.685787D+01 -0.314101D+02
      4   0.984442D+01 -0.212574D+03 -0.384962D+02 -0.374249D+02 -0.389453D+02
      5  -0.283913D+02  0.289242D+02  0.686474D+02  0.270140D+02 -0.212464D+00
      6  -0.186659D+01  0.151434D+02  0.130036D+02  0.114972D+02 -0.574957D+01
               181           182           183           184           185 
      1  -0.254692D+02  0.997391D+01 -0.547018D+01  0.260134D+02 -0.438625D+02
      2   0.200560D+02 -0.129112D+01  0.565631D+01 -0.100350D+02  0.256522D+02
      3   0.541321D+01 -0.868280D+01 -0.186134D+00 -0.159784D+02  0.182102D+02
      4   0.312717D+02 -0.349194D+02  0.276419D+02 -0.127161D+03  0.446246D+01
      5   0.647840D+01 -0.124202D+02 -0.262986D+02 -0.213744D+02  0.202702D+02
      6   0.651083D-01 -0.321554D+01 -0.248856D+01  0.801438D+00  0.118835D+01
               186           187           188           189           190 
      1  -0.222662D+02 -0.238964D+02 -0.917392D+01 -0.350542D+02  0.140197D+03
      2   0.212941D+02  0.259110D+02  0.957164D+01  0.208125D+02 -0.834580D+02
      3   0.972137D+00 -0.201461D+01 -0.397718D+00  0.142417D+02 -0.567386D+02
      4   0.764019D+02  0.635586D+02  0.186475D+02 -0.878600D+02 -0.405815D+02
      5  -0.526019D+02 -0.599237D+02 -0.346099D+02 -0.691398D+01  0.392357D+01
      6  -0.109096D+02 -0.812112D+01 -0.714677D+01  0.380556D+00 -0.143111D+02
               191           192           193           194           195 
      1   0.582243D+02  0.361397D+02 -0.433517D+02  0.281831D+02 -0.462667D+02
      2  -0.452458D+02 -0.213974D+02  0.483993D+02 -0.817955D+01  0.634196D+02
      3  -0.129785D+02 -0.147423D+02 -0.504760D+01 -0.200035D+02 -0.171530D+02
      4   0.856699D+02 -0.214974D+01  0.381735D+03  0.819210D+02  0.413224D+03
      5  -0.162265D+01  0.193450D+02  0.102597D+02 -0.989739D+01  0.486761D+02
      6   0.558017D+01 -0.270846D+01  0.174759D+01 -0.196814D+00  0.172262D+02
               196           197           198           199           200 
      1   0.181420D+02  0.409791D+01  0.170988D+02 -0.127599D+03 -0.155088D+02
      2  -0.110820D+02 -0.383190D+01 -0.214358D+02  0.769671D+02  0.185063D+02
      3  -0.706000D+01 -0.266009D+00  0.433699D+01  0.506320D+02 -0.299751D+01
      4   0.403217D+02 -0.270887D+02  0.359429D+02 -0.721176D+00  0.175066D+02
      5   0.651876D+02  0.167535D+02 -0.901736D+01 -0.503169D+02 -0.888694D+01
      6   0.132310D+02  0.870660D+01  0.786513D+00 -0.376969D+00  0.501981D+01
               201           202           203           204           205 
      1  -0.371973D+02 -0.929036D+01  0.285870D+02 -0.703790D+01  0.146650D+02
      2   0.149131D+02  0.375971D+01 -0.180396D+02 -0.716056D+01 -0.184826D+02
      3   0.222842D+02  0.553065D+01 -0.105475D+02  0.141985D+02  0.381756D+01
      4  -0.849226D+01  0.799000D+01 -0.139051D+02 -0.924091D+01 -0.244633D+02
      5   0.117806D+02  0.837382D+00  0.289092D+00  0.359316D+02  0.293161D+02
      6  -0.168311D+01  0.395182D+01 -0.315383D+01 -0.399053D+00  0.406450D+01
               206           207           208           209           210 
      1  -0.492415D+01  0.304912D+02  0.141139D+02 -0.236968D+02 -0.215457D+02
      2  -0.804554D+01 -0.117280D+02 -0.252458D+02 -0.668245D+01  0.179320D+01
      3   0.129697D+02 -0.187632D+02  0.111319D+02  0.303792D+02  0.197525D+02
      4   0.118364D+01  0.377793D+02 -0.101273D+03 -0.602962D+02 -0.313540D+02
      5   0.345479D+02  0.534689D+01 -0.313358D+02 -0.768911D+01  0.214618D+02
      6   0.359240D+01  0.114665D+02 -0.202006D+02 -0.101891D+02  0.155322D+02
               211           212           213           214           215 
      1  -0.271351D+02 -0.408026D+02  0.145114D+02  0.303734D+01  0.215904D+02
      2  -0.373677D+01  0.171949D+02 -0.120494D+02 -0.109274D+02 -0.135631D+02
      3   0.308719D+02  0.236076D+02 -0.246196D+01  0.789004D+01 -0.802735D+01
      4  -0.113839D+03 -0.300770D+02 -0.462485D+02  0.830125D+01  0.802336D+01
      5  -0.205763D+02 -0.305434D+02 -0.252178D+01  0.440139D+02  0.513678D+01
      6  -0.208651D+02 -0.131111D+02 -0.813388D+01  0.218220D+02 -0.413669D+01
               216           217           218           219           220 
      1   0.313311D+02  0.335969D+02  0.358587D+02  0.155210D+02  0.478309D+02
      2  -0.159903D+02 -0.599684D+01 -0.259875D+02 -0.213592D+02 -0.319996D+02
      3  -0.153408D+02 -0.276001D+02 -0.987119D+01  0.583820D+01 -0.158313D+02
      4   0.867998D+02  0.483841D+02 -0.524420D+01 -0.684052D+02 -0.169923D+02
      5   0.229771D+02  0.150941D+01 -0.324225D+02 -0.315045D+02 -0.347176D+02
      6   0.498936D+01 -0.169097D+02  0.526226D+01  0.574932D+01  0.147135D+02
               221           222           223           224           225 
      1   0.785152D-01 -0.317884D+02  0.270692D+01 -0.267112D+02 -0.269631D+02
      2   0.146581D+02  0.100202D+02 -0.134692D+02  0.688711D+01  0.351706D+01
      3  -0.147366D+02  0.217682D+02  0.107623D+02  0.198241D+02  0.234461D+02
      4  -0.589698D+01  0.210052D+02 -0.109315D+02  0.246869D+02 -0.337921D+02
      5   0.427720D+02 -0.117501D+02 -0.327936D+02 -0.135058D+02  0.568243D+00
      6   0.929225D+01 -0.313032D+02  0.160061D+01 -0.210725D+02  0.110423D+02
               226           227           228           229           230 
      1   0.171552D+02  0.659962D+02  0.153167D+02  0.128555D+03 -0.147613D+02
      2   0.331256D+01 -0.402419D+02 -0.189504D+02 -0.787375D+02  0.878477D+01
      3  -0.204678D+02 -0.257543D+02  0.363367D+01 -0.498171D+02  0.597657D+01
      4   0.498045D+02 -0.351145D+01 -0.370658D+02 -0.296679D+02 -0.221695D+02
      5   0.108831D+02 -0.279954D+02 -0.339095D+02 -0.469809D+02  0.378164D+02
      6  -0.106558D+02 -0.101598D+01 -0.283417D+01  0.369054D+01  0.132197D+02
               231           232           233           234           235 
      1  -0.541492D+02  0.265071D+02 -0.293030D+02 -0.465013D+02 -0.323177D+01
      2   0.388420D+02 -0.238412D+02  0.175349D+02  0.140871D+02 -0.292380D+02
      3   0.153072D+02 -0.266590D+01  0.117681D+02  0.324142D+02  0.324698D+02
      4   0.116241D+03 -0.251827D+02  0.332077D+02 -0.132956D+02 -0.282283D+02
      5  -0.274089D+02 -0.533231D+02 -0.350808D+02 -0.113845D+02  0.457776D+01
      6  -0.193850D+02 -0.114579D+02 -0.186668D+02  0.316926D+01  0.488595D+01
               236           237           238           239           240 
      1  -0.327561D+02 -0.149051D+01 -0.209801D+02 -0.200479D+02  0.158330D+02
      2   0.559965D+01  0.149025D+02 -0.514790D+00  0.560025D+01 -0.135183D+02
      3   0.271564D+02 -0.134120D+02  0.214949D+02  0.144477D+02 -0.231469D+01
      4  -0.437544D+02 -0.336902D+02 -0.642329D+02 -0.175713D+02  0.590037D+02
      5   0.167407D+02  0.226742D+02  0.180859D+02 -0.785552D+01 -0.604421D+01
      6   0.156696D+02  0.189358D+02  0.125326D+02 -0.146509D+02 -0.194414D+01
               241           242           243           244           245 
      1  -0.804088D+01  0.209928D+02  0.428327D+02 -0.324505D+02  0.266811D+02
      2   0.167708D+02 -0.275462D+02 -0.212329D+02 -0.155350D+02 -0.268927D+02
      3  -0.872996D+01  0.655339D+01 -0.215999D+02  0.479855D+02  0.211646D+00
      4   0.100394D+02 -0.885731D+00 -0.519619D+02 -0.963778D+01 -0.840022D+02
      5   0.190116D+02 -0.393354D+01  0.181875D+02  0.198235D+02  0.492870D+01
      6   0.170210D+02 -0.505003D+01  0.247547D+02  0.494900D+02  0.123294D+01
               246           247           248           249           250 
      1  -0.748771D+02 -0.608833D+02 -0.104569D+03 -0.230724D+03  0.482433D+02
      2   0.328182D+02  0.383276D+02  0.800226D+02  0.233856D+03 -0.302528D+02
      3   0.420590D+02  0.225557D+02  0.245463D+02 -0.313157D+01 -0.179905D+02
      4   0.923387D+02 -0.586773D+03 -0.715903D+02  0.145149D+04  0.391149D+02
      5  -0.586803D+02  0.709926D+02  0.149596D+02 -0.310218D+02 -0.191540D+02
      6  -0.719544D+01  0.160747D+02 -0.780962D+00 -0.169913D+02 -0.934901D+01
               251           252           253           254           255 
      1   0.144170D+02 -0.611513D+02 -0.296553D+02 -0.230486D+02  0.283360D+02
      2  -0.809652D+01  0.481006D+02  0.389643D+02  0.161904D+02 -0.304046D+02
      3  -0.632046D+01  0.130507D+02 -0.930901D+01  0.685824D+01  0.206866D+01
      4   0.754478D+01  0.151971D+03  0.491782D+02 -0.304275D+02 -0.263805D+03
      5  -0.251357D+02  0.131510D+02 -0.820906D+01  0.155010D+01 -0.153128D+02
      6   0.126970D+02 -0.104059D+01 -0.998397D+01  0.335324D+01  0.121806D+02
               256           257           258           259           260 
      1  -0.213131D+01  0.522146D+02  0.365584D+01 -0.410221D+02 -0.430443D+01
      2  -0.345811D+02 -0.448841D+02 -0.122407D+02  0.370999D+02 -0.106829D+01
      3   0.367124D+02 -0.733045D+01  0.858484D+01  0.392211D+01  0.537272D+01
      4   0.175232D+03 -0.124217D+02 -0.827622D+02  0.282249D+02  0.305211D+02
      5  -0.224116D+02 -0.504716D+00 -0.728496D+01 -0.202784D+02  0.136837D+02
      6   0.142382D+02 -0.214506D+01 -0.358435D+01  0.872705D+01 -0.150070D+02
               261           262           263           264           265 
      1  -0.142201D+02  0.283449D+02  0.131192D+02  0.112210D+02 -0.525369D+01
      2   0.437108D+01 -0.168540D+02 -0.204657D+02 -0.168070D+02  0.132559D+01
      3   0.984902D+01 -0.114909D+02  0.734650D+01  0.558598D+01  0.392810D+01
      4  -0.503111D+01 -0.180965D+02  0.318955D+02 -0.119527D+03  0.360481D+01
      5  -0.257260D+00 -0.206533D+02  0.265479D+01  0.111637D+02  0.131852D+02
      6   0.191908D+00  0.111110D+02 -0.315453D+01 -0.789811D+01 -0.381297D+01
               266           267           268           269           270 
      1  -0.207160D+02 -0.300348D+02 -0.109138D+02 -0.195009D+02 -0.254235D+02
      2   0.326299D+02  0.357715D+02  0.920644D+01  0.240848D+02  0.279526D+02
      3  -0.119139D+02 -0.573661D+01  0.170741D+01 -0.458383D+01 -0.252906D+01
      4  -0.305947D+02  0.159127D+03  0.700776D+01 -0.314595D+02  0.147229D+03
      5  -0.788890D+01 -0.489389D+01  0.266377D+02 -0.139727D+02 -0.285440D+02
      6   0.121025D+02  0.997308D+01 -0.143732D+02  0.198151D+02  0.272897D+02
               271           272           273           274           275 
      1  -0.116602D+03 -0.643264D+02  0.608412D+03  0.335249D+02  0.783405D+01
      2   0.169039D+03  0.566189D+02 -0.628619D+03 -0.122158D+02 -0.525834D+01
      3  -0.524377D+02  0.770750D+01  0.202064D+02 -0.213090D+02 -0.257571D+01
      4   0.993170D+03 -0.111550D+02 -0.429230D+04  0.176502D+03 -0.117701D+03
      5  -0.169324D+03 -0.160155D+02  0.558451D+02  0.149114D+03  0.198039D+02
      6  -0.114069D+03 -0.771460D+01  0.405517D+02  0.632572D+02  0.351454D+00
               276           277           278           279           280 
      1  -0.505204D+03  0.494934D+01  0.190350D+01  0.346562D+03  0.233918D+02
      2   0.559212D+03 -0.416124D+01  0.744305D+00 -0.343587D+03 -0.184038D+02
      3  -0.540086D+02 -0.788097D+00 -0.264781D+01 -0.297490D+01 -0.498800D+01
      4   0.415050D+04 -0.365244D+01 -0.642267D+01 -0.206403D+04  0.151984D+02
      5  -0.187558D+02 -0.146122D+02 -0.675668D+01  0.762188D+01  0.110940D+02
      6   0.127325D+02 -0.747613D+01  0.738130D+01 -0.121507D+01 -0.154959D+02
               281           282           283           284           285 
      1   0.140751D+02  0.343464D+02  0.190224D+02 -0.459431D+01 -0.788795D+01
      2  -0.189566D+02 -0.339514D+02 -0.167792D+02  0.987615D+01  0.847635D+01
      3   0.488154D+01 -0.395041D+00 -0.224321D+01 -0.528184D+01 -0.588401D+00
      4   0.413731D+02 -0.222959D+03 -0.337912D+02 -0.198850D+02  0.138637D+03
      5  -0.115223D+02  0.193383D+02  0.480306D+01  0.108905D+02 -0.871939D+00
      6   0.799915D+01 -0.108370D+02  0.655633D+01 -0.906459D+01  0.660397D+01
               286           287           288           289           290 
      1   0.537216D+01  0.100470D+02  0.253590D+02 -0.128316D+02 -0.239245D+02
      2  -0.115627D+02 -0.911336D+01 -0.351246D+02  0.162870D+02  0.250596D+02
      3   0.619058D+01 -0.933586D+00  0.976553D+01 -0.345540D+01 -0.113505D+01
      4   0.135709D+02  0.245726D+02 -0.206491D+03 -0.262753D+02  0.130847D+02
      5   0.150166D+02 -0.144172D+02  0.331971D+02 -0.147372D+01 -0.123273D+01
      6  -0.176655D+02  0.147468D+02 -0.255818D+02 -0.620208D+01 -0.514673D+01
               291           292           293           294           295 
      1   0.841688D+01  0.340781D+01 -0.505740D+02  0.778880D+01  0.835918D+00
      2  -0.464983D+01  0.950210D+01  0.662904D+02 -0.577269D+01 -0.147519D+01
      3  -0.376705D+01 -0.129099D+02 -0.157164D+02 -0.201611D+01  0.639268D+00
      4  -0.462365D+01 -0.353107D+02 -0.156623D+02  0.287138D+02  0.864211D+01
      5   0.335831D+00  0.165808D+01  0.344257D+01 -0.209399D+01 -0.162789D+00
      6   0.573227D+01 -0.361927D+01 -0.126641D+02  0.117127D+02  0.513437D+01
               296           297           298           299           300 
      1   0.854895D+01 -0.160075D+02 -0.124382D+02 -0.238815D+02 -0.846352D+01
      2  -0.632439D+01  0.128492D+02  0.161714D+02  0.250332D+02  0.470179D+01
      3  -0.222456D+01  0.315829D+01 -0.373326D+01 -0.115168D+01  0.376173D+01
      4  -0.218009D+00 -0.216754D+01 -0.266428D+02  0.130355D+02  0.503024D+01
      5  -0.631040D+01  0.328344D+01  0.145631D+01  0.122106D+01  0.351531D+00
      6   0.173825D+02 -0.962261D+01  0.652661D+01  0.514664D+01  0.573813D+01
               301           302           303           304           305 
      1   0.313556D+01 -0.505142D+02 -0.780758D+01 -0.780584D+00 -0.852653D+01
      2   0.100323D+02  0.662334D+02  0.577577D+01  0.148552D+01  0.630274D+01
      3  -0.131679D+02 -0.157191D+02  0.203182D+01 -0.704935D+00  0.222379D+01
      4  -0.311299D+02 -0.155601D+02 -0.286955D+02 -0.859229D+01  0.192742D+00
      5  -0.165674D+01 -0.345024D+01 -0.208023D+01 -0.119835D+00 -0.629811D+01
      6   0.398013D+01  0.126696D+02  0.118393D+02  0.522845D+01  0.173687D+02
               306           307           308           309           310 
      1  -0.159984D+02  0.276021D+02  0.142531D+02 -0.342863D+02  0.168849D+02
      2   0.128329D+02 -0.230304D+02 -0.191236D+02  0.338511D+02 -0.141906D+02
      3   0.316552D+01 -0.457175D+01  0.487057D+01  0.435226D+00 -0.269423D+01
      4  -0.217074D+01 -0.172186D+02  0.401820D+02  0.222378D+03 -0.133752D+02
      5  -0.327451D+01 -0.109727D+02  0.115235D+02  0.194544D+02 -0.495390D+01
      6   0.963359D+01  0.154586D+02 -0.802450D+01 -0.117425D+02 -0.628597D+01
               311           312           313           314           315 
      1  -0.466213D+01  0.784449D+01 -0.928100D+01 -0.101810D+02  0.253127D+02
      2   0.999814D+01 -0.839205D+01  0.157539D+02  0.926508D+01 -0.350580D+02
      3  -0.533601D+01  0.547557D+00 -0.647293D+01  0.915938D+00  0.974529D+01
      4  -0.192023D+02 -0.138251D+03  0.161042D+02 -0.235078D+02 -0.206226D+03
      5  -0.108972D+02 -0.936940D+00  0.150172D+02 -0.144156D+02 -0.332727D+02
      6   0.907873D+01  0.716295D+01 -0.176600D+02  0.147654D+02  0.263915D+02
               316           317           318           319           320 
      1   0.459157D+02  0.269599D+02  0.955040D+01  0.263069D+02  0.191061D+02
      2  -0.151198D+02 -0.102244D+01 -0.412418D+01  0.281413D+01  0.135186D+02
      3  -0.307959D+02 -0.259375D+02 -0.542622D+01 -0.291210D+02 -0.326247D+02
      4   0.556194D+02  0.553264D+02  0.124407D+02  0.775407D+02  0.791114D+02
      5   0.248034D+02  0.179918D+02  0.173617D+02  0.260222D+02  0.277783D+02
      6   0.155619D+02  0.148533D+02  0.800888D+01  0.205195D+02  0.247058D+02
               321           322           323           324           325 
      1   0.284025D+01 -0.608183D+00 -0.255835D+01  0.578534D+01 -0.206757D+02
      2   0.930017D+00 -0.195050D+01 -0.341810D+00 -0.394798D+01  0.987612D+01
      3  -0.377027D+01  0.255869D+01  0.290016D+01 -0.183736D+01  0.107995D+02
      4   0.168062D+02 -0.825242D+01  0.682585D+01 -0.179382D+02  0.195556D+01
      5   0.164586D+02  0.745595D+01  0.117309D+02  0.883540D+01  0.610808D+01
      6   0.138600D+02  0.387440D+01  0.922614D+01  0.645556D+01  0.914034D+01
               326           327           328           329           330 
      1   0.193218D+02  0.298512D+02  0.739847D+01 -0.951950D+01 -0.109488D+02
      2  -0.958044D+01 -0.663697D+01 -0.280353D+01  0.681316D+01  0.692223D+01
      3  -0.974138D+01 -0.232142D+02 -0.459494D+01  0.270633D+01  0.402661D+01
      4  -0.195862D+00  0.855287D+01  0.697837D+01  0.108696D+02  0.235895D+01
      5  -0.570477D+01 -0.189371D+02 -0.674278D-01  0.955142D+01  0.645846D+01
      6  -0.943969D+01 -0.182552D+02 -0.857555D+00  0.106691D+02  0.113564D+02
               331           332           333           334           335 
      1   0.113983D+02 -0.173733D+02 -0.347587D+02  0.177200D+03  0.291565D+01
      2  -0.154490D+01  0.742994D+01  0.153977D+01 -0.105738D+03 -0.145356D+01
      3  -0.985335D+01  0.994339D+01  0.332189D+02 -0.714618D+02 -0.146210D+01
      4   0.470358D+01  0.957246D+01 -0.166887D+02  0.127822D+02  0.146265D+02
      5  -0.120093D+01  0.111417D+02  0.282258D+02  0.763172D+02  0.964860D+00
      6  -0.571452D+01  0.149270D+02  0.238031D+02  0.220357D+01  0.351850D+01
               336           337           338           339           340 
      1   0.428172D+02 -0.143064D+01  0.108414D+02 -0.405236D+01  0.194146D+02
      2  -0.305802D+02  0.186011D+01 -0.493154D+01  0.410125D+01 -0.161744D+02
      3  -0.122370D+02 -0.429473D+00 -0.590989D+01 -0.488893D-01 -0.324020D+01
      4   0.216982D+00  0.289628D+02  0.200704D+01  0.181076D+02  0.117789D+02
      5   0.390133D+02 -0.406573D+00  0.682707D+01 -0.756753D+00  0.297281D+02
      6   0.254098D+01  0.447674D+01  0.106702D+01  0.379654D+01  0.255895D+01
               341           342           343           344           345 
      1  -0.480838D+00  0.178436D+02  0.862080D+01 -0.549889D+01  0.189939D+02
      2   0.228687D+01 -0.149333D+02 -0.809349D+01 -0.112383D+00 -0.294208D+01
      3  -0.180603D+01 -0.291039D+01 -0.527306D+00  0.561128D+01 -0.160519D+02
      4   0.213170D+01 -0.310173D+01 -0.413459D+01 -0.598907D+01 -0.307137D+01
      5  -0.583621D+00  0.171171D+02  0.943557D+01  0.413441D+01 -0.121502D+02
      6   0.199147D+01  0.289430D+00 -0.106826D+01 -0.240843D+01  0.914989D+00
               346           347           348           349           350 
      1  -0.557393D+01 -0.983831D+01  0.669664D+01  0.963073D+01  0.636238D+01
      2   0.503749D+01  0.396274D+00  0.907310D+01 -0.752783D+01  0.625143D+01
      3   0.536437D+00  0.944204D+01 -0.157697D+02 -0.210290D+01 -0.126138D+02
      4  -0.148604D+00 -0.155345D+02  0.314612D+02 -0.819198D+01  0.142991D+02
      5  -0.615979D+01  0.163806D+02 -0.295683D+02  0.105294D+02 -0.213069D+02
      6   0.573143D+00 -0.709037D+01  0.892493D+01 -0.123671D+01  0.732018D+01
               351           352           353           354           355 
      1  -0.203601D+02  0.462184D+02 -0.300847D+02 -0.595046D+01 -0.409136D+02
      2  -0.184210D+02 -0.195381D+02  0.137527D+02  0.322105D+01  0.172858D+02
      3   0.387811D+02 -0.266803D+02  0.163320D+02  0.272941D+01  0.236278D+02
      4  -0.289433D+02 -0.203914D+02  0.315277D+02  0.853303D+01  0.596455D+02
      5   0.556970D+02 -0.603536D+01  0.413632D+01  0.123549D+02  0.534286D+01
      6  -0.833125D+01  0.149621D+01 -0.778941D+00 -0.411228D+00 -0.169243D+01
               356           357           358           359           360 
      1   0.205767D+02 -0.141436D+01 -0.635899D+01  0.767668D+01  0.150020D+02
      2  -0.119261D+01  0.313544D+01  0.145317D+01 -0.358727D+01 -0.108008D+02
      3  -0.193841D+02 -0.172108D+01  0.490582D+01 -0.408942D+01 -0.420123D+01
      4  -0.533730D+02  0.154283D+02 -0.577868D+01 -0.104714D+02 -0.243853D+02
      5  -0.609748D+01 -0.496059D+01  0.205823D+02 -0.809011D+01 -0.602760D+01
      6   0.101805D+01  0.382327D+01 -0.233551D+01  0.462956D+01  0.685877D+00
               361           362           363           364           365 
      1  -0.488705D+02 -0.188704D+02 -0.163043D+02 -0.188815D+02 -0.117963D+02
      2   0.237095D+02  0.109827D+02 -0.285852D+01  0.103095D+02  0.412503D+01
      3   0.251610D+02  0.788768D+01  0.191628D+02  0.857196D+01  0.767123D+01
      4  -0.137926D+02 -0.839159D+01  0.928529D+01 -0.531422D+01 -0.631453D+01
      5   0.219674D+02  0.111341D+02 -0.105430D+02  0.115627D+02 -0.169547D+01
      6   0.723433D+01  0.535001D+01  0.635250D+00  0.314250D+01  0.354189D+01
               366           367           368           369           370 
      1  -0.422393D+01 -0.540200D+01 -0.941838D-01 -0.116787D+02 -0.208631D+01
      2  -0.124052D+01 -0.287658D+01 -0.290251D+01  0.472634D+01 -0.162496D+01
      3   0.546445D+01  0.827858D+01  0.299669D+01  0.695236D+01  0.371127D+01
      4   0.115857D+02  0.104805D+02 -0.212221D+01 -0.567406D+01  0.786982D+01
      5  -0.526982D+01 -0.647119D+01 -0.432158D+01  0.535643D+01 -0.966991D+01
      6   0.589309D+01  0.285042D+00  0.328031D+01  0.104479D+01 -0.339215D+01
               371           372           373           374           375 
      1   0.394848D+01 -0.998759D+01  0.146584D+01 -0.132221D+02  0.188636D+02
      2  -0.134070D+01  0.678779D+01 -0.387208D+01  0.294179D+01  0.662512D+01
      3  -0.260779D+01  0.319979D+01  0.240624D+01  0.102803D+02 -0.254887D+02
      4   0.494004D+01  0.216214D+01  0.153915D+02  0.296631D+02 -0.278496D+02
      5  -0.139588D+01  0.117197D+02 -0.132076D+02 -0.277268D+02  0.412792D+02
      6  -0.144561D+01  0.359512D+00 -0.876557D+01 -0.267982D+02  0.290311D+02
               376           377           378           379           380 
      1  -0.405166D+01  0.122351D+02 -0.179941D+02  0.336493D+02 -0.171222D+02
      2   0.820255D+01  0.340686D+01 -0.143738D+02 -0.288921D+02  0.143774D+02
      3  -0.415089D+01 -0.156420D+02  0.323679D+02 -0.475722D+01  0.274473D+01
      4  -0.620882D+01 -0.180133D+02  0.214732D+02 -0.210011D+02  0.181956D+02
      5   0.185678D+02  0.224885D+02 -0.453183D+02 -0.420170D+02  0.217362D+02
      6   0.536873D+01  0.203982D+02 -0.257126D+02  0.103234D+02 -0.886576D+01
               381           382           383           384           385 
      1  -0.193399D+02 -0.234205D+02  0.107977D+02  0.946842D+01 -0.916101D+01
      2   0.251902D+02  0.210903D+02 -0.134056D+02 -0.176689D+02  0.166491D+02
      3  -0.585026D+01  0.233019D+01  0.260795D+01  0.820049D+01 -0.748806D+01
      4   0.272955D+02  0.239205D+02 -0.272769D+02 -0.141484D+02  0.105922D+02
      5   0.417191D+02  0.341139D+02 -0.300058D+02 -0.347199D+02  0.314572D+02
      6  -0.681612D+01 -0.131073D+02  0.141743D+02  0.160423D+02 -0.615413D+01
               386           387           388           389           390 
      1   0.467406D+01  0.732969D+01  0.453913D+02  0.977016D+01  0.225889D+02
      2  -0.903461D+01 -0.201004D+02 -0.193643D+02 -0.990581D+00 -0.696325D+01
      3   0.436055D+01  0.127708D+02 -0.260270D+02 -0.877958D+01 -0.156256D+02
      4  -0.133887D+02 -0.404371D+01  0.136211D+02  0.143363D+02  0.211490D+02
      5  -0.160172D+02 -0.378280D+02  0.204551D+02  0.101648D+02  0.190934D+02
      6   0.100012D+02  0.792172D+01  0.601516D+01  0.215870D+01  0.388646D+01
               391           392           393           394           395 
      1   0.991848D+01  0.137771D+02  0.117184D+02  0.521907D+02  0.179961D+02
      2   0.126132D+01 -0.126356D+01 -0.202165D+01 -0.196925D+02 -0.343753D+01
      3  -0.111798D+02 -0.125136D+02 -0.969676D+01 -0.324982D+02 -0.145586D+02
      4   0.219310D+02  0.199906D+02  0.864513D+01  0.292455D+02  0.176845D+02
      5   0.115373D+02  0.655697D+01  0.147858D+02  0.232448D+02  0.148574D+02
      6   0.111347D+01  0.141236D+01  0.636869D+01  0.521464D+01  0.525082D+01
               396           397           398           399           400 
      1   0.228905D+02  0.112414D+03 -0.308109D+02 -0.270442D+02 -0.102329D+03
      2  -0.561792D+01 -0.680898D+02  0.195656D+02  0.172013D+02  0.623837D+02
      3  -0.172726D+02 -0.443237D+02  0.112453D+02  0.984288D+01  0.399449D+02
      4   0.174732D+02 -0.183348D+02  0.164199D+02 -0.243044D+02  0.292862D+02
      5   0.481930D+02 -0.429569D+02  0.123082D+02  0.266756D+02  0.418567D+02
      6   0.112175D+02  0.372602D+01 -0.204588D+01  0.860782D+00 -0.408591D+01
               401           402           403           404           405 
      1   0.289865D+02  0.275947D+02 -0.441725D+02  0.109499D+02  0.283909D+02
      2  -0.189456D+02 -0.208134D+02  0.313926D+02 -0.944445D+01 -0.204046D+02
      3  -0.100409D+02 -0.678127D+01  0.127799D+02 -0.150543D+01 -0.798639D+01
      4  -0.242320D+02 -0.172406D+02  0.322058D+01 -0.124583D+02  0.136381D+01
      5  -0.170686D+02 -0.209046D+02  0.433964D+02 -0.571594D+01 -0.251491D+02
      6   0.346086D+01  0.358756D+01  0.208692D+01  0.438080D+01 -0.495660D+00
               406           407           408           409           410 
      1   0.112411D+02  0.699427D+01 -0.130937D+02  0.211721D+02  0.846245D+01
      2  -0.430367D+01 -0.171980D+01  0.749611D+01 -0.447322D+01  0.968389D+01
      3  -0.693745D+01 -0.527448D+01  0.559757D+01 -0.166989D+02 -0.181463D+02
      4   0.170470D+02  0.121886D+02  0.488707D+00  0.466477D+02  0.641987D+02
      5  -0.137452D+02 -0.470104D+01  0.986222D+01 -0.241194D+02 -0.381559D+02
      6  -0.531870D+01 -0.247160D+01  0.217246D+01 -0.146891D+02 -0.253977D+02
               411           412           413           414           415 
      1  -0.349959D+00 -0.264368D+02 -0.171047D+01  0.899579D+01 -0.222221D+02
      2  -0.337493D+01  0.143842D+02 -0.247959D+01 -0.692506D+01  0.247411D+02
      3   0.372489D+01  0.120527D+02  0.419006D+01 -0.207073D+01 -0.251901D+01
      4  -0.414790D+02 -0.299418D+02 -0.392545D+02  0.345944D+02 -0.624362D+01
      5   0.343751D+02  0.352174D+02  0.344253D+02 -0.409189D+02  0.596818D+01
      6   0.200069D+02  0.137210D+02  0.203196D+02 -0.202596D+02  0.583279D+01
               416           417           418           419           420 
      1   0.340124D+02  0.794969D+01  0.168744D+02 -0.312536D+02 -0.143248D+02
      2  -0.369135D+02 -0.967795D+01 -0.172003D+02  0.420615D+02  0.168903D+02
      3   0.290110D+01  0.172826D+01  0.325916D+00 -0.108080D+02 -0.256545D+01
      4  -0.639555D-01  0.178493D+02 -0.257340D+01  0.989829D+01  0.241146D+02
      5  -0.704453D+01 -0.834240D+01 -0.406271D+01  0.916507D+01  0.374142D+01
      6  -0.557096D+01 -0.114064D+02 -0.396023D+01  0.803036D+01  0.701449D+01
               421           422           423           424           425 
      1   0.134468D+02 -0.233144D+02 -0.189734D+02  0.307440D+02  0.919708D+01
      2  -0.126896D+02  0.299550D+02  0.157639D+02  0.797328D+01  0.247112D+02
      3  -0.757251D+00 -0.664068D+01  0.320951D+01 -0.387173D+02 -0.339083D+02
      4   0.429459D+01  0.107407D+02  0.489376D+01  0.696730D+02  0.653965D+02
      5  -0.637232D+01  0.815282D+01  0.820178D+01 -0.125934D+02 -0.110755D+02
      6  -0.834669D+01  0.111367D+02  0.101465D+02 -0.770494D+01 -0.103392D+02
               426           427           428           429           430 
      1   0.226778D+00  0.628169D+01  0.125729D+00  0.170741D+01  0.272627D+01
      2  -0.388059D+01  0.181474D+02  0.344785D+02 -0.458234D+01 -0.210216D+01
      3   0.365381D+01 -0.244291D+02 -0.346043D+02  0.287493D+01 -0.624107D+00
      4  -0.103709D+02  0.547079D+02  0.636955D+02 -0.315811D+02 -0.645755D+01
      5   0.837761D+01 -0.819156D+01 -0.786093D+01  0.752658D+01  0.730805D+01
      6   0.724382D+01 -0.672241D+01 -0.866355D+01  0.772607D+01  0.592801D+01
               431           432           433           434           435 
      1  -0.155164D+01 -0.279651D+01 -0.107887D+02  0.125635D+02 -0.169862D+02
      2   0.287355D+01  0.488312D+01  0.680616D+01 -0.902913D+01  0.478070D+01
      3  -0.132191D+01 -0.208661D+01  0.398259D+01 -0.353437D+01  0.122055D+02
      4  -0.153690D+01  0.226570D+02  0.966587D+00  0.242331D+01  0.645759D+01
      5   0.892944D+01 -0.492726D+01 -0.250459D+01  0.140168D+01 -0.866757D+01
      6   0.948572D+01 -0.522113D+01 -0.671524D+01  0.479249D+01 -0.152230D+02
               436           437           438           439           440 
      1   0.105795D+01 -0.542020D+01  0.302262D+01 -0.958793D+01  0.180889D+02
      2  -0.483994D+00  0.325606D+01 -0.520537D+01  0.220020D+01 -0.154302D+02
      3  -0.573953D+00  0.216414D+01  0.218275D+01  0.738772D+01 -0.265870D+01
      4   0.238965D+01 -0.117350D+01 -0.358778D+01 -0.520290D+01 -0.114902D+02
      5  -0.121171D+01 -0.473578D+01  0.123664D+01 -0.172035D+01  0.114379D+02
      6   0.101425D+00 -0.502724D+01  0.658073D+01 -0.751380D+01  0.193581D+02
               441           442           443           444           445 
      1  -0.373305D+02 -0.229908D+01  0.392541D+01  0.100010D+02  0.146759D+01
      2   0.584773D+01 -0.145655D+01 -0.128557D+01 -0.673201D+01 -0.388375D+01
      3   0.314827D+02  0.375564D+01 -0.263984D+01 -0.326900D+01  0.241616D+01
      4   0.106207D+02  0.826197D+01  0.489091D+01 -0.214157D+01  0.149202D+02
      5  -0.359030D+02  0.951113D+01  0.134069D+01  0.116264D+02  0.131017D+02
      6  -0.418683D+02  0.330784D+01  0.140142D+01  0.275582D+00  0.870068D+01
               446           447           448           449           450 
      1  -0.133657D+02 -0.190025D+02  0.399170D+01 -0.123017D+02 -0.180369D+02
      2   0.305065D+01 -0.655521D+01 -0.811584D+01 -0.336798D+01 -0.142996D+02
      3   0.103151D+02  0.255577D+02  0.412414D+01  0.156697D+02  0.323365D+02
      4   0.296478D+02  0.279642D+02  0.637468D+01  0.179965D+02  0.213720D+02
      5   0.276815D+02  0.411986D+02  0.184967D+02  0.224231D+02  0.451324D+02
      6   0.268369D+02  0.290014D+02  0.532675D+01  0.203888D+02  0.256687D+02
               451           452           453           454           455 
      1  -0.491086D+02 -0.188475D+02  0.162192D+02 -0.192541D+02 -0.118772D+02
      2   0.240231D+02  0.109798D+02  0.289185D+01  0.107413D+02  0.417652D+01
      3   0.250855D+02  0.786774D+01 -0.191110D+02  0.851283D+01  0.770069D+01
      4  -0.124549D+02 -0.834864D+01 -0.903697D+01 -0.263978D+01 -0.624764D+01
      5  -0.220879D+02 -0.111238D+02 -0.105394D+02 -0.116272D+02  0.166180D+01
      6  -0.732749D+01 -0.536855D+01  0.655117D+00 -0.321211D+01 -0.356464D+01
               456           457           458           459           460 
      1   0.417053D+01  0.537851D+01  0.511343D-01 -0.116396D+02  0.333746D+02
      2   0.124459D+01  0.291002D+01  0.291490D+01  0.475651D+01 -0.286312D+02
      3  -0.541512D+01 -0.828854D+01 -0.296604D+01  0.688311D+01 -0.474342D+01
      4  -0.116728D+02 -0.102706D+02  0.215582D+01 -0.563439D+01 -0.190655D+02
      5  -0.530813D+01 -0.659387D+01 -0.436683D+01 -0.539481D+01  0.419755D+02
      6   0.596688D+01  0.326578D+00  0.327523D+01 -0.100831D+01 -0.103529D+02
               461           462           463           464           465 
      1  -0.170411D+02  0.193027D+02 -0.235874D+02  0.106999D+02 -0.936225D+01
      2   0.143631D+02 -0.252794D+02  0.213495D+02 -0.133479D+02  0.176105D+02
      3   0.267804D+01  0.597669D+01  0.223785D+01  0.264803D+01 -0.824825D+01
      4   0.182020D+02 -0.273676D+02  0.255994D+02 -0.271335D+02  0.139478D+02
      5  -0.217600D+02  0.418094D+02 -0.340255D+02  0.299427D+02 -0.347777D+02
      6   0.881520D+01 -0.675044D+01  0.130738D+02 -0.141637D+02  0.160887D+02
               466           467           468           469           470 
      1   0.938137D+01 -0.467630D+01  0.733873D+01  0.106969D+02  0.699640D+01
      2  -0.169770D+02  0.908498D+01 -0.202237D+02 -0.389690D+01 -0.172590D+01
      3   0.759563D+01 -0.440868D+01  0.128849D+02 -0.680001D+01 -0.527050D+01
      4  -0.121630D+02  0.133335D+02 -0.397983D+01  0.182210D+02  0.122458D+02
      5   0.315184D+02 -0.160633D+02  0.380576D+02  0.136839D+02  0.475209D+01
      6  -0.618152D+01  0.997861D+01 -0.796907D+01  0.528245D+01  0.249179D+01
               471           472           473           474           475 
      1   0.129682D+02  0.212206D+02  0.838593D+01  0.358546D+00  0.261009D+02
      2  -0.737094D+01 -0.461195D+01  0.966471D+01  0.337121D+01 -0.142318D+02
      3  -0.559726D+01 -0.166086D+02 -0.180506D+02 -0.372975D+01 -0.118690D+02
      4   0.393337D+00  0.459645D+02  0.640854D+02  0.415902D+02  0.299592D+02
      5   0.987955D+01  0.241937D+02  0.381722D+02  0.344524D+02  0.351936D+02
      6   0.220473D+01  0.146588D+02  0.254169D+02  0.200266D+02  0.136689D+02
               476           477           478           479           480 
      1   0.165825D+01  0.898081D+01  0.112425D+03 -0.308891D+02  0.270399D+02
      2   0.250818D+01 -0.696650D+01 -0.685012D+02  0.196186D+02 -0.172357D+02
      3  -0.416644D+01 -0.201432D+01 -0.439237D+02  0.112705D+02 -0.980416D+01
      4   0.392304D+02  0.347590D+02 -0.231177D+02  0.163233D+02  0.240529D+02
      5   0.344077D+02  0.409564D+02  0.428503D+02 -0.124286D+02  0.267899D+02
      6   0.203156D+02  0.202448D+02 -0.375930D+01  0.200172D+01  0.713933D+00
               481           482           483           484           485 
      1  -0.102340D+03  0.290315D+02 -0.275831D+02  0.441974D+02 -0.109704D+02
      2   0.623675D+02 -0.189747D+02  0.208214D+02 -0.314763D+02  0.945510D+01
      3   0.399723D+02 -0.100568D+02  0.676168D+01 -0.127210D+02  0.151534D+01
      4   0.289272D+02 -0.243150D+02  0.172149D+02 -0.380994D+01  0.125098D+02
      5  -0.419868D+02  0.170880D+02 -0.209790D+02  0.432777D+02 -0.574762D+01
      6   0.413816D+01 -0.349429D+01  0.359802D+01  0.202600D+01  0.440880D+01
               486           487           488           489           490 
      1   0.283678D+02  0.455420D+02  0.973724D+01 -0.225715D+02  0.100200D+02
      2  -0.203672D+02 -0.193845D+02 -0.949110D+00  0.694726D+01  0.120887D+01
      3  -0.800058D+01 -0.261575D+02 -0.878813D+01  0.156242D+02 -0.112288D+02
      4   0.127678D+01  0.147305D+02  0.144012D+02 -0.213999D+02  0.217346D+02
      5   0.253067D+02 -0.204709D+02 -0.101697D+02  0.192727D+02 -0.115977D+02
      6   0.468649D+00 -0.603859D+01 -0.215206D+01  0.392365D+01 -0.115760D+01
               491           492           493           494           495 
      1   0.137206D+02 -0.118235D+02 -0.522443D+02 -0.180569D+02  0.229636D+02
      2  -0.125143D+01  0.212178D+01  0.197319D+02  0.350048D+01 -0.571020D+01
      3  -0.124691D+02  0.970175D+01  0.325124D+02  0.145564D+02 -0.172534D+02
      4   0.199271D+02 -0.869366D+01 -0.290776D+02 -0.176399D+02  0.172619D+02
      5  -0.650847D+01  0.147609D+02  0.232927D+02  0.147970D+02 -0.481417D+02
      6  -0.136706D+01  0.634945D+01  0.524914D+01  0.520935D+01 -0.112000D+02
               496           497           498           499           500 
      1   0.177619D+03  0.284394D+01 -0.428501D+02 -0.223388D+01  0.108560D+02
      2  -0.105916D+03 -0.145344D+01  0.305246D+02  0.248572D+01 -0.490339D+01
      3  -0.717033D+02 -0.139050D+01  0.123255D+02 -0.251838D+00 -0.595258D+01
      4   0.128421D+02  0.146270D+02 -0.299831D+00  0.308590D+02  0.210255D+01
      5  -0.762986D+02 -0.924715D+00  0.388471D+02  0.384987D+00 -0.677550D+01
      6  -0.216387D+01 -0.344548D+01  0.243967D+01 -0.456928D+01 -0.110394D+01
               501           502           503           504           505 
      1   0.405869D+01 -0.191230D+02  0.562438D+00  0.178821D+02  0.891981D+01
      2  -0.406723D+01  0.159552D+02 -0.235014D+01 -0.149720D+02 -0.837488D+01
      3   0.853450D-02  0.316777D+01  0.178770D+01 -0.291016D+01 -0.544930D+00
      4  -0.178707D+02 -0.111213D+02 -0.212391D+01 -0.346120D+01 -0.575819D+01
      5  -0.760187D+00  0.296931D+02 -0.673479D+00 -0.170079D+02 -0.946792D+01
      6   0.388450D+01  0.257726D+01  0.197741D+01 -0.233194D+00  0.112247D+01
               506           507           508           509           510 
      1  -0.559518D+01 -0.189187D+02 -0.575189D+01 -0.977503D+01 -0.658674D+01
      2  -0.509635D-01  0.297414D+01  0.530266D+01  0.358469D+00 -0.918398D+01
      3   0.564614D+01  0.159446D+02  0.449229D+00  0.941656D+01  0.157707D+02
      4  -0.605221D+01  0.319662D+01  0.182541D+01 -0.154888D+02 -0.316088D+02
      5  -0.409178D+01 -0.120943D+02  0.627559D+01 -0.164273D+02 -0.296691D+02
      6   0.240722D+01  0.901474D+00 -0.560402D+00  0.705625D+01  0.896252D+01
               511           512           513           514           515 
      1  -0.979033D+01 -0.621088D+01 -0.203357D+02 -0.208779D+02  0.193298D+02
      2   0.771336D+01 -0.637445D+01 -0.184532D+02  0.101304D+02 -0.956362D+01
      3   0.207697D+01  0.125853D+02  0.387889D+02  0.107475D+02 -0.976619D+01
      4   0.906106D+01 -0.142576D+02 -0.288052D+02  0.359268D+01 -0.129351D+00
      5   0.106234D+02 -0.213422D+02 -0.558334D+02 -0.604875D+01  0.569916D+01
      6  -0.127640D+01  0.731685D+01  0.836924D+01 -0.916993D+01  0.941786D+01
               516           517           518           519           520 
      1  -0.297998D+02  0.746139D+01 -0.952617D+01  0.109233D+02 -0.116301D+02
      2   0.660611D+01 -0.293553D+01  0.678201D+01 -0.688238D+01  0.198336D+01
      3   0.231937D+02 -0.452586D+01  0.274416D+01 -0.404096D+01  0.964673D+01
      4  -0.862563D+01  0.587007D+01  0.108560D+02 -0.222244D+01 -0.101580D+01
      5  -0.190338D+02  0.102914D+00 -0.957089D+01  0.657028D+01 -0.137139D+01
      6  -0.181930D+02  0.915801D+00 -0.106565D+02  0.113592D+02 -0.574939D+01
               521           522           523           524           525 
      1   0.173733D+02 -0.347177D+02  0.460295D+02  0.269956D+02 -0.966888D+01
      2  -0.740648D+01  0.147515D+01 -0.152643D+02 -0.104489D+01  0.424140D+01
      3  -0.996683D+01  0.332426D+02 -0.307652D+02 -0.259507D+02  0.542748D+01
      4  -0.945964D+01 -0.170266D+02  0.550012D+02  0.552748D+02 -0.119706D+02
      5   0.111786D+02 -0.283911D+02 -0.248528D+02 -0.179547D+02  0.174106D+02
      6   0.149404D+02 -0.237443D+02 -0.155124D+02 -0.148217D+02  0.799107D+01
               526           527           528           529           530 
      1   0.262887D+02  0.192626D+02 -0.302313D+01 -0.141973D+00  0.248477D+01
      2   0.270683D+01  0.133807D+02 -0.848334D+00  0.269830D+01  0.406346D+00
      3  -0.289955D+02 -0.326433D+02  0.387147D+01 -0.255633D+01 -0.289112D+01
      4   0.764731D+02  0.790071D+02 -0.167510D+02  0.131075D+02 -0.665281D+01
      5  -0.258252D+02 -0.277752D+02  0.164745D+02  0.768574D+01  0.117425D+02
      6  -0.204988D+02 -0.246587D+02  0.138028D+02  0.384836D+01  0.919885D+01
               531           532           533           534           535 
      1   0.580505D+01  0.457803D+02 -0.300002D+02  0.593416D+01 -0.415329D+02
      2  -0.397830D+01 -0.192784D+02  0.137371D+02 -0.320244D+01  0.178275D+02
      3  -0.182675D+01 -0.265020D+02  0.162632D+02 -0.273172D+01  0.237053D+02
      4  -0.181180D+02 -0.198180D+02  0.315944D+02 -0.831149D+01  0.627746D+02
      5  -0.883224D+01  0.594146D+01 -0.414317D+01  0.123553D+02 -0.542514D+01
      6  -0.629430D+01 -0.168558D+01  0.765674D+00 -0.414603D+00  0.156721D+01
               536           537           538           539           540 
      1   0.204607D+02  0.141122D+01  0.576379D+01 -0.777045D+01  0.149857D+02
      2  -0.111192D+01 -0.308596D+01 -0.829309D+00  0.364951D+01 -0.107737D+02
      3  -0.193488D+02  0.167474D+01 -0.493448D+01  0.412094D+01 -0.421198D+01
      4  -0.532581D+02 -0.151650D+02  0.834766D+01  0.107066D+02 -0.244052D+02
      5   0.613574D+01 -0.504133D+01  0.205209D+02 -0.809460D+01  0.600735D+01
      6  -0.102485D+01  0.391560D+01 -0.249093D+01  0.463539D+01 -0.638888D+00
               541           542           543           544           545 
      1   0.308932D+02  0.923252D+01 -0.169106D+00  0.669681D+01  0.153042D+00
      2   0.783736D+01  0.246783D+02  0.384575D+01  0.175841D+02  0.344241D+02
      3  -0.387306D+02 -0.339108D+02 -0.367665D+01 -0.242809D+02 -0.345771D+02
      4   0.694525D+02  0.653663D+02  0.101070D+02  0.507347D+02  0.635535D+02
      5   0.125745D+02  0.110427D+02  0.838068D+01  0.810114D+01  0.787389D+01
      6   0.765781D+01  0.103389D+02  0.724100D+01  0.666976D+01  0.864897D+01
               546           547           548           549           550 
      1  -0.174687D+01 -0.243376D+01  0.153966D+01 -0.282161D+01 -0.225156D+02
      2   0.460059D+01  0.177370D+01 -0.284854D+01  0.489232D+01  0.250927D+02
      3  -0.285372D+01  0.660063D+00  0.130888D+01 -0.207071D+01 -0.257716D+01
      4   0.314468D+02  0.416922D+01  0.149044D+01  0.223943D+02 -0.356306D+01
      5   0.752618D+01  0.725591D+01  0.893948D+01  0.495237D+01 -0.597876D+01
      6   0.760974D+01  0.588535D+01  0.951229D+01  0.518557D+01 -0.585216D+01
               551           552           553           554           555 
      1   0.339643D+02 -0.795613D+01  0.163691D+02 -0.312891D+02  0.143567D+02
      2  -0.368704D+02  0.967125D+01 -0.166390D+02  0.421395D+02 -0.169260D+02
      3   0.290603D+01 -0.171512D+01  0.269982D+00 -0.108503D+02  0.256930D+01
      4   0.276937D-01 -0.180785D+02  0.870309D+00  0.100635D+02 -0.240079D+02
      5   0.704588D+01 -0.835474D+01  0.409389D+01 -0.917098D+01  0.375993D+01
      6   0.560855D+01 -0.113251D+02  0.403163D+01 -0.807436D+01  0.713089D+01
               556           557           558           559           560 
      1  -0.133345D+02  0.233770D+02 -0.190209D+02 -0.110971D+02  0.125685D+02
      2   0.125549D+02 -0.300268D+02  0.158126D+02  0.710589D+01 -0.903813D+01
      3   0.779554D+00  0.664976D+01  0.320835D+01  0.399119D+01 -0.353040D+01
      4  -0.515233D+01 -0.108253D+02  0.478015D+01  0.259720D+01  0.245575D+01
      5  -0.634680D+01  0.820450D+01 -0.825837D+01  0.253022D+01 -0.142331D+01
      6  -0.835257D+01  0.112034D+02 -0.102461D+02  0.675081D+01 -0.482905D+01
               561           562           563           564           565 
      1   0.169641D+02  0.992520D+00 -0.541593D+01 -0.301192D+01  0.980239D+01
      2  -0.475013D+01 -0.460504D+00  0.323661D+01  0.517983D+01 -0.241594D+01
      3  -0.122140D+02 -0.532016D+00  0.217931D+01 -0.216792D+01 -0.738645D+01
      4  -0.610641D+01  0.253776D+01 -0.115269D+01  0.342021D+01  0.373581D+01
      5  -0.870551D+01  0.118670D+01  0.474854D+01  0.127517D+01 -0.181747D+01
      6  -0.152148D+02 -0.102879D+00  0.505033D+01  0.663368D+01 -0.757905D+01
               566           567 
      1  -0.180669D+02 -0.372626D+02
      2   0.154215D+02  0.586781D+01
      3   0.264536D+01  0.313948D+02
      4   0.114220D+02  0.103413D+02
      5   0.114344D+02  0.358318D+02
      6   0.193389D+02  0.417451D+02
 Leave Link  716 at Sat Aug 28 18:27:31 2021, MaxMem= 16106127360 cpu:               4.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.515101D+03  0.378418D+02 -0.876861D-01
      2   0.378418D+02  0.347109D+03 -0.457976D-02
      3  -0.876861D-01 -0.457976D-02  0.258405D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.688604D+02  0.234309D+02  0.989673D-01
      2  -0.314414D+03  0.946150D+01 -0.240114D+00
      3  -0.510875D+02 -0.166655D+01  0.607214D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.396882D+00  0.449569D-01 -0.652715D+01
      2  -0.346642D+00  0.359598D-02 -0.108271D+03
      3  -0.502393D-01 -0.485529D-01  0.114798D+03
      4  -0.121584D+01 -0.105277D+00  0.102747D+03
      5   0.158762D+03  0.920968D+02  0.415102D-01
      6   0.544104D+02  0.481681D+02 -0.155465D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.102561D+02 -0.849246D+00  0.313878D+01  0.946987D+00  0.216104D+01
      2  -0.849246D+00  0.914803D+00  0.883583D+00  0.216104D+01 -0.935650D+00
      3   0.313878D+01  0.883583D+00  0.198853D+01 -0.130684D+01  0.292334D+00
                 6             7             8             9            10 
      1  -0.130684D+01 -0.477619D+01 -0.105703D+01  0.474295D+01 -0.143784D+02
      2   0.292334D+00 -0.105703D+01 -0.109420D+01  0.384648D+01 -0.415093D+00
      3   0.405056D+01  0.474295D+01  0.384648D+01  0.606981D+00  0.119356D+01
                11            12            13            14            15 
      1  -0.415093D+00  0.119356D+01  0.721709D+01 -0.436029D+01 -0.259803D+01
      2  -0.389214D+01  0.816776D+00 -0.436029D+01 -0.646316D+00 -0.212677D+01
      3   0.816776D+00 -0.484369D+01 -0.259803D+01 -0.212677D+01 -0.906999D+01
                16            17            18            19            20 
      1   0.279599D+01  0.116036D+01 -0.949142D+01  0.629013D+02  0.848930D+01
      2   0.116036D+01 -0.368982D+00 -0.336203D+01  0.848930D+01  0.113885D+02
      3  -0.949142D+01 -0.336203D+01 -0.333951D+01 -0.601786D+01  0.113334D+01
                21            22            23            24            25 
      1  -0.601786D+01  0.191249D+01  0.104127D+02  0.269223D+02  0.353788D+02
      2   0.113334D+01  0.104127D+02  0.114274D+02  0.235973D+01  0.318653D+01
      3   0.159278D+01  0.269223D+02  0.235973D+01 -0.273503D+02  0.742699D+00
                26            27            28            29            30 
      1   0.318653D+01  0.742699D+00 -0.117842D+03 -0.496151D+01 -0.141358D+02
      2   0.164705D+01  0.294398D+01 -0.496151D+01  0.507428D+01 -0.289944D+01
      3   0.294398D+01  0.178316D+01 -0.141358D+02 -0.289944D+01 -0.507762D+00
                31            32            33            34            35 
      1   0.385867D+02 -0.280795D+01 -0.765703D+02  0.276065D+02 -0.616328D+00
      2  -0.280795D+01  0.538292D+01 -0.599568D+01 -0.616328D+00  0.958795D+00
      3  -0.765703D+02 -0.599568D+01  0.128455D+03 -0.171409D+02  0.161923D+01
                36            37            38            39            40 
      1  -0.171409D+02  0.439911D+02  0.792170D+01  0.323732D+01  0.523223D+02
      2   0.161923D+01  0.792170D+01  0.821294D+00  0.325898D+01  0.111456D+02
      3   0.331436D+02  0.323732D+01  0.325898D+01  0.718005D+01  0.141186D+02
                41            42            43            44            45 
      1   0.111456D+02  0.141186D+02 -0.493362D+02  0.209173D+01  0.232581D+01
      2   0.383740D+00  0.861707D-01  0.209173D+01 -0.349340D+00 -0.180607D+01
      3   0.861707D-01 -0.150354D+02  0.232581D+01 -0.180607D+01  0.995279D+01
                46            47            48            49            50 
      1   0.635293D+01 -0.407602D+01 -0.213117D+01 -0.262389D+01 -0.646290D+01
      2  -0.407602D+01 -0.416773D+01 -0.735161D+00 -0.646290D+01 -0.354065D+00
      3  -0.213117D+01 -0.735161D+00  0.527601D+01 -0.222404D+01  0.209138D+01
                51            52            53            54            55 
      1  -0.222404D+01 -0.161432D+01 -0.346938D+01  0.484691D+01 -0.466635D+01
      2   0.209138D+01 -0.346938D+01 -0.591264D+00 -0.397640D+00 -0.667129D+01
      3   0.118250D+01  0.484691D+01 -0.397640D+00  0.369375D+01  0.419254D+01
                56            57            58            59            60 
      1  -0.667129D+01  0.419254D+01 -0.392027D+02 -0.345967D+01 -0.184638D+01
      2  -0.134243D+00 -0.148111D+01 -0.345967D+01  0.100195D+01  0.310574D+01
      3  -0.148111D+01  0.772102D+01 -0.184638D+01  0.310574D+01  0.160376D+02
                61            62            63            64            65 
      1   0.137402D+02 -0.749835D-01  0.949948D+01  0.323983D+03  0.244614D+02
      2  -0.749835D-01  0.400273D+01  0.317468D+01  0.244614D+02 -0.430796D+01
      3   0.949948D+01  0.317468D+01 -0.663959D+01 -0.950444D+02 -0.504284D+01
                66            67            68            69            70 
      1  -0.950444D+02  0.139640D+03  0.180976D+02  0.462641D+02  0.146529D+03
      2  -0.504284D+01  0.180976D+02  0.709399D+01  0.624913D+01  0.115206D+02
      3   0.394457D+03  0.462641D+02  0.624913D+01  0.282814D+03 -0.294387D+01
                71            72            73            74            75 
      1   0.115206D+02 -0.294387D+01 -0.887957D+01 -0.161607D+01  0.536634D+02
      2   0.827135D+00  0.205719D+01 -0.161607D+01 -0.867757D-01  0.174613D+02
      3   0.205719D+01  0.415539D+02  0.536634D+02  0.174613D+02  0.503535D+00
                76            77            78            79            80 
      1   0.126037D+02  0.119019D+00 -0.876130D+02 -0.232428D+03 -0.159662D+02
      2   0.119019D+00 -0.163931D-01  0.104717D+01 -0.159662D+02 -0.563152D+00
      3  -0.876130D+02  0.104717D+01  0.955433D+00 -0.981023D+01 -0.403713D+00
                81            82            83            84            85 
      1  -0.981023D+01  0.249019D+03  0.525918D+01  0.231124D+02 -0.152648D+03
      2  -0.403713D+00  0.525918D+01 -0.245327D+01 -0.308712D+01 -0.465722D+01
      3   0.124245D+03  0.231124D+02 -0.308712D+01  0.300189D+03  0.572047D+02
                86            87            88            89            90 
      1  -0.465722D+01  0.572047D+02 -0.210116D+02 -0.245352D+01  0.223025D+02
      2  -0.387355D+01 -0.691162D+01 -0.245352D+01 -0.367300D+00  0.526496D-01
      3  -0.691162D+01 -0.290501D+03  0.223025D+02  0.526496D-01 -0.145525D+03
                91            92            93            94            95 
      1  -0.123871D+03 -0.290323D+01 -0.121581D+01 -0.691214D+02 -0.248929D+02
      2  -0.290323D+01 -0.363320D+01 -0.323960D+01 -0.248929D+02 -0.235487D+02
      3  -0.121581D+01 -0.323960D+01 -0.812126D+01 -0.186597D+02  0.300153D+01
                96            97            98            99           100 
      1  -0.186597D+02 -0.268032D+02 -0.409162D+01 -0.462466D+01  0.184024D+02
      2   0.300153D+01 -0.409162D+01 -0.289787D+01 -0.406112D+01 -0.591785D+01
      3  -0.103491D+03 -0.462466D+01 -0.406112D+01  0.103997D+02  0.245043D+01
               101           102           103           104           105 
      1  -0.591785D+01  0.245043D+01 -0.702529D+01  0.145321D+02  0.800137D+01
      2  -0.423686D+01 -0.854875D-01  0.145321D+02  0.417636D+01 -0.143405D+01
      3  -0.854875D-01  0.172229D+02  0.800137D+01 -0.143405D+01  0.535118D+01
               106           107           108           109           110 
      1  -0.214534D+01  0.269977D+01 -0.364694D+01  0.725591D+01  0.157120D+01
      2   0.269977D+01 -0.112864D+01  0.586265D-02  0.157120D+01  0.447378D+01
      3  -0.364694D+01  0.586265D-02 -0.139185D+01  0.778874D-01 -0.612460D+00
               111           112           113           114           115 
      1   0.778874D-01 -0.752835D+01 -0.120418D+01  0.616660D+00  0.743777D+01
      2  -0.612460D+00 -0.120418D+01 -0.483531D+01  0.178215D+01  0.116368D+01
      3   0.100461D+02  0.616660D+00  0.178215D+01 -0.124485D+02  0.492946D+00
               116           117           118           119           120 
      1   0.116368D+01  0.492946D+00 -0.115100D+02 -0.606565D+01  0.135063D+01
      2   0.474262D+01 -0.199087D+01 -0.606565D+01 -0.169047D+01 -0.152584D+01
      3  -0.199087D+01  0.153841D+02  0.135063D+01 -0.152584D+01  0.627630D+01
               121           122           123           124           125 
      1  -0.670058D+01 -0.229873D+01 -0.222146D+01  0.235497D-01 -0.180457D+01
      2  -0.229873D+01 -0.669237D-01  0.162840D+01 -0.180457D+01  0.190160D+01
      3  -0.222146D+01  0.162840D+01 -0.466552D+01  0.344735D+01 -0.937427D+00
               126           127           128           129           130 
      1   0.344735D+01  0.106222D+01  0.509149D+01 -0.230796D+01  0.206435D+02
      2  -0.937427D+00  0.509149D+01 -0.677884D-01  0.141308D+01 -0.283399D+00
      3  -0.811365D+01 -0.230796D+01  0.141308D+01 -0.143196D+01  0.272959D+01
               131           132           133           134           135 
      1  -0.283399D+00  0.272959D+01 -0.524268D+01  0.236730D+00 -0.341349D+01
      2  -0.190418D+01 -0.277157D+01  0.236730D+00 -0.329967D+01 -0.299276D+01
      3  -0.277157D+01 -0.822166D+01 -0.341349D+01 -0.299276D+01  0.363853D+01
               136           137           138           139           140 
      1   0.150394D+01  0.409501D+01 -0.152138D+01  0.446885D+01 -0.185363D+01
      2   0.409501D+01 -0.556803D+00  0.195174D+01 -0.185363D+01 -0.112894D+01
      3  -0.152138D+01  0.195174D+01  0.908116D+00  0.149702D+01 -0.417996D+01
               141           142           143           144           145 
      1   0.149702D+01 -0.188921D+00  0.153066D+01 -0.286675D+01 -0.303296D+03
      2  -0.417996D+01  0.153066D+01 -0.289072D+01 -0.222888D+01 -0.235848D+02
      3  -0.112197D+01 -0.286675D+01 -0.222888D+01  0.378510D+00 -0.321199D+02
               146           147           148           149           150 
      1  -0.235848D+02 -0.321199D+02 -0.160438D+03 -0.194366D+02  0.913678D+02
      2   0.435035D+01 -0.286418D+01 -0.194366D+02 -0.715042D+01  0.776058D+01
      3  -0.286418D+01 -0.394729D+03  0.913678D+02  0.776058D+01 -0.283197D+03
               151           152           153           154           155 
      1   0.147146D+03  0.116778D+02 -0.381018D+01  0.122046D+03  0.546588D+01
      2   0.116778D+02  0.852041D+00 -0.220658D+01  0.546588D+01 -0.505891D+01
      3  -0.381018D+01 -0.220658D+01  0.422678D+02 -0.139443D+02 -0.296967D+01
               156           157           158           159           160 
      1  -0.139443D+02 -0.182573D+02  0.413848D+01 -0.563597D+02  0.223371D+02
      2  -0.296967D+01  0.413848D+01 -0.532282D+01 -0.524760D+01 -0.911906D+00
      3   0.818630D+00 -0.563597D+02 -0.524760D+01 -0.128542D+03  0.121896D+02
               161           162           163           164           165 
      1  -0.911906D+00  0.121896D+02 -0.454700D+02 -0.812876D+01  0.503903D+01
      2   0.957607D+00 -0.181867D+01 -0.812876D+01 -0.833054D+00  0.332702D+01
      3  -0.181867D+01  0.332290D+02  0.503903D+01  0.332702D+01 -0.723916D+01
               166           167           168           169           170 
      1  -0.551999D+02 -0.114910D+02  0.113916D+02 -0.469086D+02  0.213553D+01
      2  -0.114910D+02 -0.401425D+00 -0.217225D-02  0.213553D+01 -0.348555D+00
      3   0.113916D+02 -0.217225D-02  0.150943D+02 -0.353843D+01  0.176736D+01
               171           172           173           174           175 
      1  -0.353843D+01  0.393685D+01  0.660753D+01  0.468703D+01  0.385848D+02
      2   0.176736D+01  0.660753D+01  0.141610D+00 -0.145582D+01  0.343232D+01
      3   0.990389D+01  0.468703D+01 -0.145582D+01 -0.762270D+01  0.179296D+00
               176           177           178           179           180 
      1   0.343232D+01  0.179296D+00  0.146359D+02 -0.138109D-01 -0.862794D+01
      2  -0.100873D+01  0.318045D+01 -0.138109D-01  0.400927D+01 -0.315116D+01
      3   0.318045D+01 -0.160591D+02 -0.862794D+01 -0.315116D+01 -0.672173D+01
               181           182           183           184           185 
      1   0.139464D+02  0.422530D+00  0.802007D+00 -0.589534D+01  0.436891D+01
      2   0.422530D+00  0.389385D+01  0.789750D+00  0.436891D+01  0.651672D+00
      3   0.802007D+00  0.789750D+00  0.487049D+01 -0.318282D+01 -0.214508D+01
               186           187           188           189           190 
      1  -0.318282D+01  0.139594D+01  0.107320D+01  0.100195D+02 -0.611306D+02
      2  -0.214508D+01  0.107320D+01 -0.364021D+00  0.338498D+01 -0.845381D+01
      3   0.905220D+01  0.100195D+02  0.338498D+01 -0.331688D+01 -0.606403D+01
               191           192           193           194           195 
      1  -0.845381D+01 -0.606403D+01 -0.958128D+01 -0.106563D+02  0.224500D+02
      2  -0.113969D+02  0.117606D+01 -0.106563D+02 -0.114450D+02  0.220647D+01
      3   0.117606D+01 -0.159901D+01  0.224500D+02  0.220647D+01  0.276331D+02
               196           197           198           199           200 
      1   0.344668D+02  0.335160D+01 -0.860872D+00  0.100212D+02  0.813886D+00
      2   0.335160D+01  0.164840D+01 -0.296661D+01  0.813886D+00 -0.903429D+00
      3  -0.860872D+00 -0.296661D+01  0.186805D+01  0.314421D+01  0.887439D+00
               201           202           203           204           205 
      1   0.314421D+01 -0.688963D+00 -0.211860D+01 -0.125524D+01 -0.407496D+01
      2   0.887439D+00 -0.211860D+01  0.930325D+00  0.286325D+00 -0.992275D+00
      3  -0.202231D+01 -0.125524D+01  0.286325D+00 -0.406352D+01 -0.479764D+01
               206           207           208           209           210 
      1  -0.992275D+00 -0.479764D+01 -0.513000D+01  0.418696D+01 -0.181484D+01
      2  -0.109751D+01 -0.384431D+01  0.418696D+01  0.417527D+01 -0.723419D+00
      3  -0.384431D+01  0.569886D+00 -0.181484D+01 -0.723419D+00 -0.531988D+01
               211           212           213           214           215 
      1   0.357199D+01  0.658109D+01 -0.192175D+01 -0.145259D+01 -0.347606D+01
      2   0.658109D+01  0.372732D+00  0.210671D+01 -0.347606D+01 -0.585437D+00
      3  -0.192175D+01  0.210671D+01 -0.118552D+01 -0.570716D+01  0.363735D+00
               216           217           218           219           220 
      1  -0.570716D+01 -0.152689D+01 -0.409983D+01 -0.974564D+00 -0.446878D+01
      2   0.363735D+00 -0.409983D+01  0.563456D+00  0.196003D+01  0.186423D+01
      3   0.365268D+01 -0.974564D+00  0.196003D+01 -0.905119D+00  0.168172D+01
               221           222           223           224           225 
      1   0.186423D+01  0.168172D+01 -0.229098D+00  0.151501D+01  0.300480D+01
      2   0.112094D+01 -0.417608D+01  0.151501D+01 -0.288092D+01  0.224539D+01
      3  -0.417608D+01  0.113055D+01  0.300480D+01  0.224539D+01  0.373768D+00
               226           227           228           229           230 
      1  -0.631020D+00 -0.504126D+01 -0.217157D+01 -0.205857D+02  0.259861D+00
      2  -0.504126D+01  0.676889D-01  0.140992D+01  0.259861D+00  0.189978D+01
      3  -0.217157D+01  0.140992D+01  0.139702D+01  0.182419D+01 -0.280076D+01
               231           232           233           234           235 
      1   0.182419D+01 -0.505031D+01  0.253026D+00  0.306200D+01  0.111474D+02
      2  -0.280076D+01  0.253026D+00 -0.329316D+01  0.299652D+01  0.603893D+01
      3   0.821836D+01  0.306200D+01  0.299652D+01  0.359689D+01  0.183620D+01
               236           237           238           239           240 
      1   0.603893D+01  0.183620D+01  0.701732D+01  0.234511D+01 -0.290000D+01
      2   0.168179D+01 -0.150536D+01  0.234511D+01  0.866459D-01  0.160203D+01
      3  -0.150536D+01 -0.620737D+01 -0.290000D+01  0.160203D+01  0.460110D+01
               241           242           243           244           245 
      1   0.120300D+00 -0.181148D+01 -0.273699D+01  0.125021D+03  0.343260D+01
      2  -0.181148D+01  0.189160D+01  0.951021D+00  0.343260D+01  0.367022D+01
      3  -0.273699D+01  0.951021D+00 -0.813930D+01 -0.226837D+01 -0.335745D+01
               246           247           248           249           250 
      1  -0.226837D+01  0.767695D+02  0.241080D+02 -0.347159D+02 -0.276056D+02
      2  -0.335745D+01  0.241080D+02  0.235186D+02  0.237453D+01 -0.397213D+01
      3   0.757978D+01 -0.347159D+02  0.237453D+01  0.103595D+03  0.284299D+01
               251           252           253           254           255 
      1  -0.397213D+01  0.284299D+01 -0.198216D+02  0.582918D+01  0.540659D+01
      2  -0.288706D+01  0.396717D+01  0.582918D+01  0.423714D+01  0.415592D-02
      3   0.396717D+01  0.104706D+02  0.540659D+01  0.415592D-02 -0.172414D+02
               256           257           258           259           260 
      1   0.517174D+01 -0.142168D+02  0.900833D+01 -0.303162D+01  0.247065D+01
      2  -0.142168D+02 -0.416100D+01 -0.138237D+01  0.247065D+01 -0.114446D+01
      3   0.900833D+01 -0.138237D+01 -0.540381D+01  0.377730D+01  0.418441D-02
               261           262           263           264           265 
      1   0.377730D+01 -0.691521D+01 -0.146304D+01  0.154219D+01  0.735206D+01
      2   0.418441D-02 -0.146304D+01 -0.446960D+01 -0.560983D+00  0.108871D+01
      3  -0.146086D+01  0.154219D+01 -0.560983D+00 -0.100261D+02 -0.131715D+01
               266           267           268           269           270 
      1   0.108871D+01 -0.131715D+01  0.720840D+01  0.110021D+01 -0.236995D+01
      2   0.482871D+01  0.171856D+01  0.110021D+01  0.473620D+01  0.192553D+01
      3   0.171856D+01  0.124290D+02 -0.236995D+01  0.192553D+01  0.153604D+02
               271           272           273           274           275 
      1  -0.264614D+03 -0.531988D+01  0.711253D+02  0.142574D+03  0.567586D+01
      2  -0.531988D+01  0.245986D+01 -0.140120D+01  0.567586D+01  0.395960D+01
      3   0.711253D+02 -0.140120D+01 -0.300284D+03  0.107763D+02 -0.841557D+01
               276           277           278           279           280 
      1   0.107763D+02 -0.171909D+02 -0.227410D+01  0.590269D+00 -0.113729D+02
      2  -0.841557D+01 -0.227410D+01 -0.354161D+00  0.789941D+00 -0.212961D+01
      3   0.289721D+03  0.590269D+00  0.789941D+00 -0.145189D+03  0.362779D+00
               281           282           283           284           285 
      1  -0.212961D+01  0.362779D+00  0.526386D+01 -0.428596D-01 -0.298178D+01
      2  -0.483822D+01  0.128632D+01 -0.428596D-01  0.185853D+01 -0.129474D+01
      3   0.128632D+01 -0.158178D+02 -0.298178D+01 -0.129474D+01  0.897550D+01
               286           287           288           289           290 
      1  -0.868984D+01 -0.134779D+01 -0.589921D+00 -0.520532D+00  0.179399D+01
      2  -0.134779D+01 -0.283152D+01  0.164989D+01  0.179399D+01  0.195606D+01
      3  -0.589921D+00  0.164989D+01 -0.166861D+02 -0.265123D+01 -0.154935D+00
               291           292           293           294           295 
      1  -0.265123D+01 -0.163636D+01  0.240485D+01 -0.278219D+01  0.964886D+00
      2  -0.154935D+00  0.240485D+01  0.624874D+01 -0.937945D+00 -0.349433D+00
      3   0.547224D+00 -0.278219D+01 -0.937945D+00  0.233227D+01  0.127079D+01
               296           297           298           299           300 
      1  -0.349433D+00  0.127079D+01  0.116702D+01 -0.182474D+01 -0.267263D+01
      2  -0.698793D+00  0.146791D+01 -0.182474D+01 -0.195854D+01 -0.157273D+00
      3   0.146791D+01 -0.918519D+00 -0.267263D+01 -0.157273D+00 -0.517735D+00
               301           302           303           304           305 
      1   0.231335D+01 -0.242064D+01 -0.248974D+01  0.115300D+01 -0.357021D+00
      2  -0.242064D+01 -0.624570D+01 -0.928743D+00 -0.357021D+00 -0.698353D+00
      3  -0.248974D+01 -0.928743D+00 -0.233165D+01 -0.126354D+01 -0.146710D+01
               306           307           308           309           310 
      1  -0.126354D+01  0.110619D+02  0.212422D+01 -0.190836D+01 -0.450330D+01
      2  -0.146710D+01  0.212422D+01  0.483098D+01  0.120246D+01  0.623822D-01
      3  -0.920535D+00 -0.190836D+01  0.120246D+01  0.157793D+02 -0.156206D+01
               311           312           313           314           315 
      1   0.623822D-01 -0.156206D+01 -0.848389D+01 -0.133056D+01  0.266742D+01
      2  -0.186498D+01 -0.124961D+01 -0.133056D+01 -0.282942D+01 -0.157721D+01
      3  -0.124961D+01 -0.894600D+01  0.266742D+01 -0.157721D+01 -0.166649D+02
               316           317           318           319           320 
      1  -0.745182D+01 -0.412057D+01 -0.178228D+01 -0.540519D+01 -0.567210D+01
      2  -0.412057D+01 -0.453572D+01 -0.109282D+01 -0.567210D+01 -0.669926D+01
      3  -0.178228D+01 -0.109282D+01 -0.130075D+01 -0.112818D+01 -0.198229D+01
               321           322           323           324           325 
      1  -0.112818D+01 -0.139040D+01  0.271555D+00 -0.127328D+01  0.194600D+01
      2  -0.198229D+01  0.271555D+00 -0.884889D+00 -0.115255D+01 -0.120407D+01
      3  -0.186297D+01 -0.127328D+01 -0.115255D+01 -0.280371D+01 -0.165821D+01
               326           327           328           329           330 
      1  -0.120407D+01 -0.165821D+01 -0.143454D+01 -0.274059D+00  0.218401D+00
      2   0.985437D+00  0.141265D+01 -0.274059D+00 -0.150307D+01 -0.138845D+01
      3   0.141265D+01  0.437361D+01  0.218401D+00 -0.138845D+01 -0.154906D+01
               331           332           333           334           335 
      1   0.108203D+01  0.605733D+00  0.145223D+01 -0.163557D+02 -0.773487D+00
      2   0.605733D+00 -0.140404D+01 -0.179093D+01 -0.773487D+00 -0.102561D+01
      3   0.145223D+01 -0.179093D+01 -0.635244D+01 -0.390292D+01 -0.107196D+00
               336           337           338           339           340 
      1  -0.390292D+01 -0.941639D+00 -0.149181D+01  0.687240D+00 -0.267457D+01
      2  -0.107196D+00 -0.149181D+01  0.192949D+00 -0.426636D+00 -0.239578D+00
      3  -0.245962D+01  0.687240D+00 -0.426636D+00  0.997563D+00 -0.124194D+01
               341           342           343           344           345 
      1  -0.239578D+00 -0.124194D+01 -0.785053D+00  0.354250D+00 -0.102103D+01
      2   0.209166D+00  0.140404D+00  0.354250D+00  0.675184D+00 -0.706008D+00
      3   0.140404D+00 -0.127684D+01 -0.102103D+01 -0.706008D+00  0.134963D+01
               346           347           348           349           350 
      1   0.421045D+00 -0.455483D-01  0.273140D+00 -0.320427D+00  0.560882D+00
      2  -0.455483D-01  0.162132D+01 -0.186954D+01  0.560882D+00 -0.154206D+01
      3   0.273140D+00 -0.186954D+01  0.403966D+01 -0.774065D+00  0.231335D+01
               351           352           353           354           355 
      1  -0.774065D+00 -0.561083D+01  0.327553D+01  0.190061D+01  0.494729D+01
      2   0.231335D+01  0.327553D+01 -0.209275D+01 -0.240112D+00 -0.323994D+01
      3  -0.663153D+01  0.190061D+01 -0.240112D+00 -0.629971D+00  0.669521D+00
               356           357           358           359           360 
      1  -0.323994D+01  0.669521D+00  0.138514D+01 -0.912724D+00 -0.281459D+01
      2   0.496656D+01  0.567482D+00 -0.912724D+00  0.625957D+00  0.646104D+00
      3   0.567482D+00  0.194770D+01 -0.281459D+01  0.646104D+00 -0.599505D+00
               361           362           363           364           365 
      1   0.506859D+01  0.210005D+01  0.533355D+00  0.184788D+01  0.930578D+00
      2   0.210005D+01  0.133881D+01 -0.293664D+00  0.930578D+00  0.778855D+00
      3   0.533355D+00 -0.293664D+00  0.313332D+01 -0.172098D+00  0.670680D+00
               366           367           368           369           370 
      1  -0.172098D+00 -0.107882D+01 -0.512334D+00  0.194218D+01 -0.510620D+00
      2   0.670680D+00 -0.512334D+00  0.278584D+00  0.684501D+00 -0.327006D+00
      3   0.217342D+01  0.194218D+01  0.684501D+00 -0.210717D+00  0.132798D+01
               371           372           373           374           375 
      1  -0.327006D+00  0.132798D+01 -0.105227D+01 -0.103567D+01  0.124898D+01
      2  -0.132625D+00 -0.104751D+00 -0.103567D+01 -0.349724D+01  0.307479D+01
      3  -0.104751D+00 -0.210948D+00  0.124898D+01  0.307479D+01 -0.485774D+01
               376           377           378           379           380 
      1   0.129306D+01  0.610400D+00 -0.140207D+01 -0.420009D+01  0.203109D+01
      2   0.610400D+00  0.211493D+01 -0.266711D+01  0.203109D+01 -0.164521D+01
      3  -0.140207D+01 -0.266711D+01  0.511359D+01  0.287943D+01 -0.142631D+01
               381           382           383           384           385 
      1   0.287943D+01  0.244965D+01 -0.232537D+01 -0.235357D+01  0.130392D+01
      2  -0.142631D+01 -0.232537D+01  0.255994D+01  0.249098D+01 -0.111804D+01
      3  -0.229017D+01 -0.235357D+01  0.249098D+01  0.365202D+01 -0.239312D+01
               386           387           388           389           390 
      1  -0.111804D+01 -0.239312D+01 -0.301630D+01 -0.792465D+00 -0.191015D+01
      2   0.141034D+01  0.125446D+01 -0.792465D+00 -0.869127D+00 -0.774217D+00
      3   0.125446D+01  0.378415D+01 -0.191015D+01 -0.774217D+00 -0.867465D+00
               391           392           393           394           395 
      1  -0.567564D+00 -0.133686D+01 -0.923982D+00 -0.361625D+01 -0.138877D+01
      2  -0.133686D+01 -0.138616D+01 -0.599105D+00 -0.138877D+01 -0.105102D+01
      3  -0.923982D+00 -0.599105D+00 -0.128042D+01 -0.161629D+01 -0.121568D+01
               396           397           398           399           400 
      1  -0.161629D+01 -0.547901D+01  0.267440D+01  0.267863D+01  0.980639D+01
      2  -0.121568D+01  0.267440D+01 -0.119762D+01 -0.689469D+00 -0.200934D+01
      3  -0.405207D+01  0.267863D+01 -0.689469D+00 -0.374881D+01 -0.234899D+01
               401           402           403           404           405 
      1  -0.200934D+01 -0.234899D+01  0.403093D+01 -0.727661D+00 -0.292036D+01
      2   0.179848D+01  0.109421D+01 -0.727661D+00  0.935058D+00  0.286907D+00
      3   0.109421D+01  0.105739D+01 -0.292036D+01  0.286907D+00  0.182772D+01
               406           407           408           409           410 
      1  -0.193079D+01 -0.749872D+00  0.133429D+01 -0.264073D+01 -0.297482D+01
      2  -0.749872D+00 -0.300532D+00  0.251424D+00 -0.297482D+01 -0.487512D+01
      3   0.133429D+01  0.251424D+00 -0.589179D-01  0.170455D+01  0.289172D+01
               411           412           413           414           415 
      1   0.170455D+01  0.313952D+01  0.173434D+01 -0.255642D+01  0.816553D+00
      2   0.289172D+01  0.173434D+01  0.294229D+01 -0.265805D+01 -0.219803D+01
      3  -0.288987D+01 -0.255642D+01 -0.265805D+01  0.307582D+01 -0.119555D+01
               416           417           418           419           420 
      1  -0.219803D+01 -0.119555D+01 -0.992583D+00  0.131151D+01  0.604333D-02
      2   0.314341D+01  0.830922D+00  0.131151D+01 -0.365182D+01 -0.129253D+01
      3   0.830922D+00  0.262454D+01  0.604333D-02 -0.129253D+01  0.762403D+00
               421           422           423           424           425 
      1  -0.949401D+00  0.869740D+00  0.120067D+01 -0.762917D+01 -0.468912D+01
      2   0.869740D+00 -0.298422D+01 -0.131435D+01 -0.468912D+01 -0.534632D+01
      3   0.120067D+01 -0.131435D+01 -0.922647D+00  0.853380D+00  0.903414D+00
               426           427           428           429           430 
      1   0.853380D+00 -0.121191D+01 -0.357638D+01  0.949443D+00 -0.872683D+00
      2   0.903414D+00 -0.357638D+01 -0.573729D+01  0.547144D+00  0.157581D+00
      3  -0.779037D+00  0.949443D+00  0.547144D+00 -0.243012D+01 -0.886818D+00
               431           432           433           434           435 
      1   0.157581D+00 -0.886818D+00  0.107779D+01 -0.823131D+00  0.106298D+01
      2  -0.180687D+00 -0.981098D+00 -0.823131D+00  0.925558D+00 -0.520351D+00
      3  -0.981098D+00  0.154534D+01  0.106298D+01 -0.520351D+00  0.298319D+01
               436           437           438           439           440 
      1   0.298632D+00  0.275657D+00  0.131589D+00  0.540199D+00 -0.292011D+00
      2   0.275657D+00 -0.313272D-01  0.768404D+00 -0.292011D+00  0.221612D+01
      3   0.131589D+00  0.768404D+00 -0.151665D+00  0.115580D+01 -0.205334D+01
               441           442           443           444           445 
      1   0.115580D+01  0.398040D+00  0.317982D+00  0.135684D+01  0.982186D+00
      2  -0.205334D+01  0.317982D+00  0.126298D+00 -0.109366D+00  0.102620D+01
      3   0.702911D+01  0.135684D+01 -0.109366D+00  0.205794D+00  0.121345D+01
               446           447           448           449           450 
      1   0.102620D+01  0.121345D+01  0.128167D+01  0.605045D+00  0.140430D+01
      2   0.350363D+01  0.307404D+01  0.605045D+00  0.211370D+01  0.266470D+01
      3   0.307404D+01  0.486495D+01  0.140430D+01  0.266470D+01  0.510108D+01
               451           452           453           454           455 
      1  -0.522963D+01 -0.211523D+01  0.615695D+00 -0.188368D+01 -0.934344D+00
      2  -0.211523D+01 -0.134314D+01 -0.285860D+00 -0.934344D+00 -0.781239D+00
      3   0.615695D+00 -0.285860D+00 -0.311027D+01  0.162888D-01  0.681527D+00
               456           457           458           459           460 
      1   0.162888D-01 -0.941369D+00 -0.508952D+00 -0.192883D+01  0.413684D+01
      2   0.681527D+00 -0.508952D+00  0.278408D+00 -0.685314D+00 -0.203385D+01
      3  -0.217569D+01 -0.192883D+01 -0.685314D+00 -0.216645D+00  0.301437D+01
               461           462           463           464           465 
      1  -0.203385D+01  0.301437D+01 -0.242407D+01  0.232039D+01 -0.222198D+01
      2   0.163667D+01 -0.142605D+01  0.232039D+01 -0.255058D+01  0.248957D+01
      3  -0.142605D+01  0.229766D+01 -0.222198D+01  0.248957D+01 -0.366327D+01
               466           467           468           469           470 
      1   0.130928D+01 -0.111991D+01  0.229427D+01  0.178484D+01  0.729560D+00
      2  -0.111991D+01  0.141291D+01 -0.126160D+01  0.729560D+00  0.301604D+00
      3   0.229427D+01 -0.126160D+01  0.380311D+01  0.140497D+01  0.256532D+00
               471           472           473           474           475 
      1   0.140497D+01  0.262981D+01  0.296909D+01  0.165939D+01  0.306698D+01
      2   0.256532D+00  0.296909D+01  0.486975D+01  0.289224D+01  0.172618D+01
      3   0.120484D+00  0.165939D+01  0.289224D+01  0.289869D+01  0.257025D+01
               476           477           478           479           480 
      1   0.172618D+01  0.257025D+01  0.537158D+01 -0.267719D+01  0.234502D+01
      2   0.294117D+01  0.265761D+01 -0.267719D+01  0.120391D+01 -0.709074D+00
      3   0.265761D+01  0.309020D+01  0.234502D+01 -0.709074D+00  0.375548D+01
               481           482           483           484           485 
      1  -0.978668D+01  0.200904D+01 -0.237757D+01  0.395456D+01 -0.740722D+00
      2   0.200904D+01 -0.179901D+01  0.109568D+01 -0.740722D+00  0.935810D+00
      3  -0.237757D+01  0.109568D+01 -0.106796D+01  0.287729D+01 -0.288742D+00
               486           487           488           489           490 
      1   0.287729D+01  0.306476D+01  0.791330D+00 -0.181918D+01  0.584297D+00
      2  -0.288742D+00  0.791330D+00  0.860578D+00 -0.772848D+00  0.133413D+01
      3   0.182951D+01 -0.181918D+01 -0.772848D+00  0.850128D+00 -0.939345D+00
               491           492           493           494           495 
      1   0.133413D+01 -0.939345D+00 -0.356946D+01 -0.138554D+01  0.163234D+01
      2   0.137884D+01 -0.593560D+00 -0.138554D+01 -0.104564D+01  0.120641D+01
      3  -0.593560D+00  0.126752D+01  0.163234D+01  0.120641D+01 -0.405187D+01
               496           497           498           499           500 
      1   0.162961D+02  0.769721D+00 -0.388401D+01  0.705863D+00  0.145907D+01
      2   0.769721D+00  0.103331D+01 -0.105485D+00  0.145907D+01 -0.198440D+00
      3  -0.388401D+01 -0.105485D+00  0.243835D+01  0.827634D+00 -0.417075D+00
               501           502           503           504           505 
      1   0.827634D+00 -0.244038D+01 -0.211138D+00  0.125778D+01  0.811540D+00
      2  -0.417075D+00 -0.211138D+00  0.217223D+00 -0.145407D+00 -0.353051D+00
      3  -0.982426D+00  0.125778D+01 -0.145407D+00 -0.128164D+01 -0.111865D+01
               506           507           508           509           510 
      1  -0.353051D+00 -0.111865D+01 -0.426160D+00  0.498879D-01  0.421146D+00
      2  -0.672841D+00 -0.704975D+00  0.498879D-01 -0.162746D+01 -0.186566D+01
      3  -0.704975D+00 -0.134362D+01  0.421146D+00 -0.186566D+01 -0.404427D+01
               511           512           513           514           515 
      1  -0.421097D+00  0.563496D+00  0.830386D+00 -0.192987D+01  0.120611D+01
      2   0.563496D+00 -0.154587D+01 -0.231577D+01  0.120611D+01 -0.981350D+00
      3   0.830386D+00 -0.231577D+01 -0.662171D+01 -0.154668D+01  0.141309D+01
               516           517           518           519           520 
      1  -0.154668D+01  0.141201D+01  0.258630D+00  0.148614D+00  0.112542D+01
      2   0.141309D+01  0.258630D+00  0.149830D+01 -0.138990D+01  0.633547D+00
      3  -0.437888D+01  0.148614D+00 -0.138990D+01  0.156461D+01 -0.121258D+01
               521           522           523           524           525 
      1   0.633547D+00 -0.121258D+01  0.752102D+01  0.412659D+01 -0.181815D+01
      2  -0.139744D+01  0.179987D+01  0.412659D+01  0.452972D+01 -0.108990D+01
      3   0.179987D+01 -0.639411D+01 -0.181815D+01 -0.108990D+01  0.133105D+01
               526           527           528           529           530 
      1   0.520868D+01  0.564454D+01 -0.117319D+01 -0.159796D+01  0.240058D+00
      2   0.564454D+01  0.669505D+01 -0.198129D+01  0.240058D+00 -0.881334D+00
      3  -0.117319D+01 -0.198129D+01  0.186131D+01  0.162099D+01  0.115883D+01
               531           532           533           534           535 
      1   0.162099D+01  0.516410D+01 -0.330271D+01  0.193501D+01 -0.531081D+01
      2   0.115883D+01 -0.330271D+01  0.208611D+01 -0.237860D+00  0.322414D+01
      3  -0.281478D+01  0.193501D+01 -0.237860D+00  0.643451D+00  0.877082D+00
               536           537           538           539           540 
      1   0.322414D+01  0.877082D+00  0.993891D+00 -0.946536D+00  0.300126D+01
      2  -0.497073D+01  0.577697D+00 -0.946536D+00  0.629467D+00 -0.631754D+00
      3   0.577697D+00 -0.193749D+01  0.300126D+01 -0.631754D+00 -0.597793D+00
               541           542           543           544           545 
      1   0.755815D+01  0.468285D+01  0.841113D+00  0.114435D+01  0.356113D+01
      2   0.468285D+01  0.534544D+01  0.901404D+00  0.356113D+01  0.572908D+01
      3   0.841113D+00  0.901404D+00  0.760454D+00  0.670820D+00  0.535309D+00
               546           547           548           549           550 
      1   0.670820D+00 -0.934075D+00  0.151130D+00  0.727756D+00 -0.789045D+00
      2   0.535309D+00  0.151130D+00 -0.178633D+00  0.978819D+00  0.219660D+01
      3   0.241268D+01  0.727756D+00  0.978819D+00  0.152689D+01 -0.101348D+01
               551           552           553           554           555 
      1   0.219660D+01 -0.101348D+01  0.111330D+01 -0.130967D+01  0.247748D+00
      2  -0.313575D+01  0.841946D+00 -0.130967D+01  0.365412D+01 -0.129067D+01
      3   0.841946D+00 -0.264217D+01  0.247748D+00 -0.129067D+01 -0.749204D+00
               556           557           558           559           560 
      1  -0.940921D+00  0.874029D+00 -0.126281D+01 -0.108499D+01  0.820440D+00
      2   0.874029D+00 -0.299048D+01  0.131955D+01  0.820440D+00 -0.928498D+00
      3  -0.126281D+01  0.131955D+01 -0.942383D+00  0.118848D+01 -0.517685D+00
               561           562           563           564           565 
      1   0.118848D+01 -0.328120D+00 -0.282468D+00  0.142353D+00  0.564642D+00
      2  -0.517685D+00 -0.282468D+00  0.293055D-01  0.766147D+00 -0.296723D+00
      3  -0.296367D+01  0.142353D+00  0.766147D+00  0.146238D+00 -0.126877D+01
               566           567 
      1  -0.296723D+00 -0.126877D+01
      2   0.221464D+01  0.204864D+01
      3   0.204864D+01  0.699809D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.898086D+01 -0.729911D+01  0.644328D+01  0.258373D+01  0.241343D+01
      2  -0.315240D+02 -0.206870D+01  0.276086D+02  0.158323D+02  0.307384D+01
      3   0.522818D+03  0.130424D+03 -0.833698D+02 -0.580370D+03 -0.135860D+03
                 6             7             8             9            10 
      1  -0.483380D+01 -0.103498D+02  0.584309D+01  0.261454D+01 -0.168989D+02
      2  -0.153561D+02 -0.110055D+02  0.218169D+02  0.152595D+02  0.668272D+02
      3   0.234969D+03  0.128751D+04  0.168069D+03  0.142653D+03  0.904990D+03
                11            12            13            14            15 
      1   0.666162D+01  0.243394D+01  0.399856D+01  0.189748D+01  0.113763D+02
      2   0.734833D+01  0.355949D+02 -0.421791D+02 -0.166712D+02 -0.953604D+00
      3  -0.417388D+02 -0.150255D+04 -0.231707D+04  0.754875D+02 -0.236913D+04
                16            17            18            19            20 
      1   0.324565D+02  0.483092D+01  0.293967D+01  0.584002D+02 -0.645753D+01
      2  -0.245352D+02 -0.187776D+02  0.275315D+01 -0.451755D+02  0.269131D+01
      3  -0.267573D+04 -0.193163D+03 -0.203282D+04 -0.361622D+04 -0.282014D+02
                21            22            23            24            25 
      1  -0.593384D+02 -0.141207D+03 -0.104330D+02  0.119646D+03  0.523986D+02
      2   0.111685D+00  0.422164D+03  0.558538D+01 -0.842870D+03 -0.771117D+03
      3  -0.809477D+01  0.166952D+05  0.293282D+03 -0.175283D+05 -0.180258D+04
                26            27            28            29            30 
      1   0.318539D+01 -0.371138D+02 -0.165185D+03 -0.105935D+02  0.131705D+03
      2  -0.212704D+02 -0.125514D+03 -0.837356D+03 -0.849098D+02 -0.151000D+03
      3   0.656213D+03  0.385057D+03 -0.727299D+04 -0.192698D+04  0.377589D+03
                31            32            33            34            35 
      1   0.241320D+03  0.146417D+01 -0.213046D+03  0.955315D+02  0.117233D+02
      2  -0.750004D+03 -0.339162D+02  0.761673D+03 -0.435951D+03 -0.448050D+02
      3  -0.456957D+05 -0.371541D+04  0.785768D+05 -0.120652D+05 -0.725541D+03
                36            37            38            39            40 
      1  -0.535654D+02  0.212976D+02 -0.259557D+00  0.155660D+02  0.185426D+02
      2  -0.206547D+03  0.486391D+02  0.218422D+01 -0.921929D+02 -0.114658D+03
      3   0.193441D+05  0.235133D+04  0.661340D+03  0.672372D+04  0.633611D+04
                41            42            43            44            45 
      1   0.111514D+02 -0.110214D+02 -0.103374D+03  0.701606D+01  0.165087D+01
      2  -0.444921D+02 -0.623168D+02  0.821823D+03  0.101332D+03  0.232335D+03
      3   0.120140D+04 -0.106492D+05  0.467910D+04 -0.130791D+03  0.464823D+04
                46            47            48            49            50 
      1   0.303025D+02  0.770613D+01 -0.525948D+01  0.273833D+02 -0.759949D+01
      2  -0.271678D+03 -0.479640D+02 -0.276342D+02 -0.162662D+03 -0.211794D+02
      3  -0.249244D+04 -0.281124D+03  0.118236D+04 -0.192228D+04 -0.342977D+03
                51            52            53            54            55 
      1  -0.378906D+01 -0.499725D+01  0.307221D+01  0.150852D+02 -0.168735D+02
      2  -0.775407D+02 -0.539279D+02 -0.201740D+02 -0.806236D+02 -0.490643D+02
      3   0.116281D+04  0.468391D+02 -0.404710D+02  0.340729D+04  0.138888D+04
                56            57            58            59            60 
      1   0.430373D+01  0.328760D+01 -0.339284D+02 -0.707688D+01 -0.687593D+01
      2  -0.849935D+00  0.275347D+02  0.343945D+03  0.678269D+02 -0.636244D+01
      3   0.209612D+03  0.187720D+04  0.619628D+03 -0.631228D+02  0.784781D+04
                61            62            63            64            65 
      1  -0.122450D+02  0.549609D+01  0.114241D+01  0.631132D+03  0.503062D+02
      2  -0.353418D+01  0.115651D+02 -0.550661D+02 -0.433566D+04 -0.419577D+03
      3   0.211571D+04  0.172892D+03 -0.327269D+04 -0.599949D+05 -0.239763D+04
                66            67            68            69            70 
      1  -0.189931D+03  0.428120D+03  0.449287D+02  0.311451D+02  0.385542D+03
      2   0.765675D+03 -0.431017D+04 -0.445243D+03 -0.168296D+03 -0.354648D+04
      3   0.242614D+06  0.255841D+05  0.329975D+04  0.173832D+06 -0.192809D+04
                71            72            73            74            75 
      1   0.207046D+02  0.553264D+01 -0.168408D+02  0.260983D-01  0.249708D+03
      2  -0.309877D+03  0.231565D+03  0.802445D+02 -0.175555D+01 -0.112405D+04
      3   0.545591D+03  0.253515D+05  0.342933D+05  0.110754D+05  0.305816D+03
                76            77            78            79            80 
      1  -0.797600D+01 -0.103598D+00  0.612919D+02 -0.497578D+03 -0.148617D+01
      2   0.672095D+02  0.276702D+01 -0.741599D+03  0.576336D+04  0.191093D+03
      3  -0.465384D+05  0.591931D+03  0.568782D+03 -0.605293D+04 -0.251524D+03
                81            82            83            84            85 
      1   0.742799D+01  0.434370D+03  0.295870D+02 -0.718667D+01 -0.287548D+03
      2  -0.436663D+02 -0.423090D+04 -0.447394D+03 -0.928033D+03  0.383635D+04
      3   0.767032D+05  0.154603D+05 -0.128120D+04  0.184358D+06  0.330851D+05
                86            87            88            89            90 
      1  -0.264601D+02 -0.627720D+02 -0.862056D+02 -0.188044D+02  0.360214D+02
      2   0.491632D+03  0.443629D+03  0.217515D+03  0.203244D+03  0.411447D+03
      3  -0.407876D+04 -0.178811D+06  0.139629D+05  0.683758D+03 -0.889098D+05
                91            92            93            94            95 
      1  -0.404813D+02  0.384146D+01 -0.135035D+02 -0.179597D+03  0.431012D+00
      2   0.214553D+03  0.608477D+02  0.784876D+03  0.142424D+04  0.701151D+02
      3  -0.233785D+04 -0.190815D+04 -0.401352D+04 -0.969369D+04  0.375996D+04
                96            97            98            99           100 
      1   0.710695D+02 -0.101069D+03  0.105109D+02 -0.724923D+02  0.273280D+02
      2   0.291265D+03  0.364725D+03  0.734305D+00  0.585394D+02 -0.311937D+03
      3  -0.619910D+05 -0.192688D+04  0.370759D+03  0.712270D+04  0.177764D+04
               101           102           103           104           105 
      1   0.518203D+01 -0.893399D+01  0.144277D+02 -0.428231D+01  0.311696D+02
      2  -0.310457D+02 -0.607491D+01 -0.165939D+03  0.263943D+02  0.498391D+02
      3   0.229410D+03  0.113056D+05  0.329291D+04 -0.140215D+04  0.392931D+04
               106           107           108           109           110 
      1   0.242563D+02  0.197635D+02  0.353974D+02  0.291561D+02  0.161941D+00
      2   0.280941D+03 -0.454873D+02 -0.639079D+02 -0.934346D+02 -0.121081D+02
      3  -0.172055D+04 -0.737543D+03 -0.512423D+03 -0.112596D+04 -0.398863D+03
               111           112           113           114           115 
      1   0.132599D+02 -0.328354D+02  0.293407D+01 -0.209619D+02  0.278565D+02
      2   0.529468D+01  0.141610D+03  0.217433D+02  0.413285D+01 -0.172868D+03
      3   0.566546D+04  0.954309D+03  0.434303D+03 -0.743769D+04 -0.100355D+04
               116           117           118           119           120 
      1  -0.463071D+01  0.185576D+02 -0.187983D+02  0.462513D+01 -0.698714D+01
      2  -0.135392D+02  0.133195D+02  0.753747D+02  0.871713D+01  0.289470D+01
      3  -0.257792D+03  0.724733D+04  0.646058D+03  0.161324D+02  0.186168D+04
               121           122           123           124           125 
      1  -0.308366D+01 -0.101510D+02 -0.259896D+01 -0.158455D+02  0.105065D+02
      2   0.466427D+02  0.182319D+02  0.275763D+02  0.572076D+02  0.111473D+01
      3  -0.416111D+03 -0.145319D+03 -0.260708D+04  0.407899D+03 -0.568040D+02
               126           127           128           129           130 
      1   0.189062D+02  0.841213D+01 -0.434479D+01  0.524771D+01  0.680550D+00
      2  -0.339385D+02  0.227639D+02  0.820259D+01 -0.712003D+01 -0.106323D+03
      3  -0.267855D+04 -0.921543D+03 -0.183624D+03  0.668004D+03  0.208094D+03
               131           132           133           134           135 
      1   0.322560D+01  0.122080D+01  0.478271D+01  0.359090D+01 -0.160973D+01
      2  -0.336162D+02 -0.215457D+02 -0.984272D+01 -0.205982D+02  0.111273D+02
      3   0.107821D+03 -0.346634D+04  0.354428D+03  0.899234D+02  0.137953D+04
               136           137           138           139           140 
      1   0.136886D+02 -0.303812D+01  0.334056D+01 -0.797437D+01  0.319716D+00
      2  -0.288701D+02 -0.461533D+01 -0.812924D+00 -0.197171D+02 -0.173065D+02
      3  -0.950519D+02  0.277934D+00  0.215731D+04 -0.652202D+02  0.244881D+02
               141           142           143           144           145 
      1  -0.175275D+02  0.539212D+01 -0.675338D+01 -0.679511D+01 -0.605397D+03
      2  -0.652109D+01 -0.188181D+02 -0.169271D+02  0.974230D+01  0.424042D+04
      3   0.786240D+03 -0.594133D+02  0.157399D+02 -0.539309D+03 -0.213287D+05
               146           147           148           149           150 
      1  -0.489256D+02 -0.233942D+03 -0.424568D+03 -0.444847D+02  0.163994D+00
      2   0.414012D+03  0.999530D+03  0.429258D+04  0.442002D+03 -0.688914D+01
      3  -0.105103D+04 -0.242787D+06  0.533671D+05  0.422804D+04 -0.174050D+06
               151           152           153           154           155 
      1   0.387718D+03  0.206473D+02 -0.117294D+01  0.144626D+03  0.924484D+01
      2  -0.352212D+04 -0.308128D+03 -0.253155D+03  0.857967D+03  0.887361D+02
      3  -0.220050D+04 -0.638192D+03  0.257861D+05 -0.707241D+04 -0.196851D+04
               156           157           158           159           160 
      1   0.132569D+03 -0.213995D+03 -0.259885D+00 -0.227729D+03  0.889380D+02
      2  -0.157333D+03  0.664275D+03  0.304057D+02  0.842527D+03 -0.476986D+03
      3  -0.203510D+03 -0.332957D+05 -0.325466D+04 -0.786322D+05  0.908154D+04
               161           162           163           164           165 
      1   0.115171D+02  0.571911D+02 -0.225166D+02  0.268240D+00  0.144014D+02
      2  -0.464634D+02  0.186819D+03 -0.381631D+02 -0.208165D+01 -0.856212D+02
      3   0.608202D+03  0.193939D+05  0.346528D+04  0.702596D+03 -0.675042D+04
               166           167           168           169           170 
      1  -0.175922D+02 -0.109270D+02 -0.899787D+01 -0.103679D+03  0.707037D+01
      2   0.120972D+03  0.438431D+02 -0.731372D+02  0.864658D+03  0.102476D+03
      3   0.464734D+04  0.114636D+04  0.106775D+05 -0.544171D+04  0.994462D+02
               171           172           173           174           175 
      1  -0.614397D+00  0.159306D+02 -0.432341D+01  0.302151D+01  0.349283D+02
      2  -0.237737D+03  0.445821D+02  0.483351D+00  0.291072D+02 -0.340697D+03
      3   0.460328D+04  0.167304D+04  0.218348D+03 -0.182175D+04  0.185007D+04
               176           177           178           179           180 
      1   0.711621D+01 -0.840149D+01 -0.133629D+02  0.540190D+01 -0.173623D+01
      2  -0.674171D+02  0.185064D+01 -0.583879D+01  0.116711D+02  0.583132D+02
      3  -0.149599D+02 -0.785670D+04 -0.157413D+04 -0.155325D+03 -0.331688D+04
               181           182           183           184           185 
      1   0.169310D+02 -0.667277D+01  0.278282D+01 -0.659028D+01 -0.202729D+01
      2  -0.742430D+02 -0.754801D+01  0.339401D+02  0.409308D+02  0.164073D+02
      3   0.691300D+03 -0.561406D+02  0.152485D+04 -0.265986D+04  0.579511D+02
               186           187           188           189           190 
      1   0.119276D+02  0.330872D+02  0.481267D+01 -0.336270D+01 -0.504068D+02
      2  -0.395166D+01 -0.284359D+02 -0.189960D+02 -0.691443D+00  0.515010D+02
      3   0.235939D+04  0.297156D+04  0.203425D+03 -0.202537D+04 -0.364823D+04
               191           192           193           194           195 
      1   0.698088D+01 -0.596521D+02  0.125335D+03  0.965949D+01  0.123295D+03
      2  -0.260190D+01  0.246711D+01 -0.309849D+03  0.104056D+01 -0.861788D+03
      3   0.116333D+01  0.169054D+01  0.139809D+05  0.199794D+03  0.177067D+05
               196           197           198           199           200 
      1   0.467219D+02  0.290318D+01  0.369181D+02  0.801148D+01  0.725361D+01
      2  -0.794221D+03 -0.217979D+02  0.126519D+03  0.294532D+02  0.184785D+01
      3   0.174599D+04 -0.666253D+03  0.440534D+03  0.499090D+03  0.128943D+03
               201           202           203           204           205 
      1   0.642587D+01 -0.267850D+01 -0.244256D+01 -0.496439D+01 -0.897538D+01
      2   0.272480D+02 -0.879424D+01 -0.256563D+01 -0.149105D+02 -0.809748D+01
      3   0.606523D+02 -0.555336D+03 -0.133091D+03 -0.242740D+03 -0.133835D+04
               206           207           208           209           210 
      1   0.591807D+01 -0.265641D+01 -0.313918D+02 -0.781796D+01 -0.534579D+01
      2   0.221170D+02 -0.151433D+02  0.282637D+03  0.486351D+02 -0.269155D+02
      3  -0.166650D+03  0.122435D+03 -0.230309D+04 -0.277305D+03 -0.121541D+04
               211           212           213           214           215 
      1  -0.276709D+02  0.754746D+01 -0.398404D+01 -0.373039D+01  0.310266D+01
      2   0.176569D+03  0.218689D+02 -0.766606D+02 -0.666105D+02 -0.206386D+02
      3  -0.175425D+04 -0.336955D+03 -0.116255D+04 -0.576698D+03  0.237726D+02
               216           217           218           219           220 
      1  -0.145185D+02 -0.129309D+02  0.312009D+01  0.286553D+01  0.800070D+01
      2   0.778074D+02  0.282129D+02  0.463271D+01  0.108780D+01  0.184971D+02
      3   0.339507D+04  0.249452D+03  0.126584D+02 -0.214820D+04  0.593961D+02
               221           222           223           224           225 
      1  -0.365299D+00 -0.176909D+02  0.561856D+01 -0.671801D+01  0.673595D+01
      2   0.172276D+02 -0.603424D+01 -0.199829D+02 -0.169960D+02 -0.901660D+01
      3   0.288185D+02 -0.792239D+03  0.145392D+03 -0.118337D+02 -0.547555D+03
               226           227           228           229           230 
      1  -0.833013D+01  0.432368D+01  0.509220D+01 -0.104061D+01 -0.320995D+01
      2  -0.230706D+02 -0.802441D+01 -0.616472D+01  0.105492D+03  0.334438D+02
      3  -0.817000D+03 -0.180247D+03 -0.682364D+03 -0.342600D+03  0.859952D+02
               231           232           233           234           235 
      1   0.194814D+01  0.534353D+01  0.365317D+01  0.187886D+01  0.182957D+02
      2  -0.248898D+02 -0.948806D+01 -0.206374D+02 -0.124084D+02 -0.760999D+02
      3   0.345707D+04 -0.569275D+03 -0.956645D+02  0.134987D+04  0.941481D+03
               236           237           238           239           240 
      1  -0.462504D+01 -0.730320D+01  0.339476D+01  0.101372D+02 -0.224218D+01
      2  -0.879097D+01  0.470296D+01 -0.494851D+02 -0.182764D+02  0.251366D+02
      3   0.266499D+02 -0.182306D+04 -0.837635D+03 -0.160232D+03  0.257056D+04
               241           242           243           244           245 
      1  -0.153316D+02  0.104853D+02 -0.194762D+02  0.420650D+02 -0.431661D+01
      2   0.542783D+02  0.983939D+00  0.365719D+02 -0.329335D+03 -0.649052D+02
      3   0.251219D+02  0.718798D+02 -0.268514D+04 -0.292966D+04 -0.197733D+04
               246           247           248           249           250 
      1  -0.130708D+02  0.165220D+03 -0.470087D+00  0.820058D+02 -0.112736D+03
      2   0.781272D+03 -0.145251D+04 -0.754460D+02  0.233045D+03  0.375535D+03
      3   0.369317D+04 -0.195722D+05  0.337594D+04  0.620488D+05  0.894701D+03
               251           252           253           254           255 
      1   0.101173D+02  0.740137D+02 -0.260399D+02 -0.511070D+01 -0.108540D+02
      2   0.116171D+01 -0.669946D+02  0.309661D+03  0.309651D+02  0.439323D+01
      3  -0.426779D+03  0.716427D+04  0.357785D+04  0.283687D+03 -0.113185D+05
               256           257           258           259           260 
      1  -0.182763D+02  0.372563D+01  0.304739D+02  0.298650D+02  0.201041D+02
      2   0.154210D+03 -0.256630D+02  0.532734D+02  0.269851D+03 -0.463868D+02
      3   0.395254D+04 -0.137076D+04 -0.396114D+04  0.178827D+04  0.743968D+03
               261           262           263           264           265 
      1  -0.355401D+02 -0.305261D+02 -0.284056D+00  0.122468D+02  0.351366D+02
      2   0.636546D+02  0.934834D+02  0.123436D+02  0.108320D+02 -0.142149D+03
      3  -0.557429D+03 -0.211062D+03 -0.366516D+03 -0.565206D+04 -0.249976D+03
               266           267           268           269           270 
      1  -0.274299D+01 -0.196591D+02  0.284406D+02 -0.456458D+01 -0.172456D+02
      2  -0.220132D+02 -0.313594D+01 -0.172217D+03 -0.137085D+02 -0.202018D+02
      3   0.392150D+03  0.742639D+04 -0.165346D+03  0.215871D+03  0.723369D+04
               271           272           273           274           275 
      1  -0.426065D+03 -0.293842D+02 -0.395586D+02  0.297215D+03  0.258992D+02
      2   0.432860D+04  0.454996D+03 -0.758472D+03 -0.390062D+04 -0.489793D+03
      3   0.449232D+05 -0.252384D+03 -0.184411D+06  0.450728D+04 -0.500455D+04
               276           277           278           279           280 
      1  -0.313533D+02 -0.797396D+02 -0.187039D+02 -0.524467D+02 -0.119962D+02
      2   0.278083D+03  0.276015D+03  0.206036D+03 -0.319738D+03  0.265646D+03
      3   0.178344D+06  0.400788D+02 -0.168415D+03 -0.887086D+05  0.130474D+04
               281           282           283           284           285 
      1   0.139296D+01  0.443775D+00  0.841113D+01  0.217334D+01 -0.549648D+01
      2   0.112990D+02  0.441641D+02 -0.172382D+03  0.510193D+00 -0.314253D+02
      3   0.127831D+02 -0.878200D+04 -0.192368D+04 -0.415090D+01  0.544844D+04
               286           287           288           289           290 
      1  -0.131006D+02 -0.224678D+01  0.120901D+02 -0.163509D+01 -0.644292D+00
      2   0.214789D+03  0.185256D+02  0.260824D+02  0.148391D+02  0.788639D+01
      3   0.100957D+04  0.572301D+02 -0.800599D+04 -0.121538D+04  0.174069D+03
               291           292           293           294           295 
      1  -0.865028D+01  0.185968D+01 -0.135568D+01 -0.245225D+02 -0.300644D+01
      2   0.133079D+01 -0.333523D+02  0.798697D+01  0.697248D+01 -0.183424D+02
      3  -0.732642D+02 -0.143858D+04  0.130491D+03  0.113215D+04  0.372369D+03
               296           297           298           299           300 
      1  -0.370152D+01  0.891573D+01  0.223252D+01  0.722081D+00 -0.863757D+01
      2  -0.183929D+01 -0.368658D+01 -0.141581D+02 -0.804969D+01  0.113125D+01
      3  -0.367862D+02 -0.144020D+02 -0.122622D+04  0.172317D+03  0.909993D+02
               301           302           303           304           305 
      1   0.698334D+00  0.153645D+01 -0.247412D+02 -0.214885D+01 -0.365148D+01
      2   0.338193D+02 -0.808140D+01  0.771379D+01 -0.188776D+02 -0.188417D+01
      3  -0.124888D+04  0.135484D+03 -0.113173D+04 -0.366162D+03  0.362726D+02
               306           307           308           309           310 
      1  -0.893085D+01  0.126274D+02 -0.138520D+01  0.205748D+01 -0.795776D+01
      2   0.364016D+01 -0.271628D+03 -0.116111D+02  0.360502D+02  0.178255D+03
      3  -0.150310D+02 -0.867571D+02 -0.374128D+02  0.875676D+04 -0.105243D+04
               311           312           313           314           315 
      1  -0.211174D+01 -0.649376D+01 -0.129724D+02 -0.223895D+01 -0.135332D+02
      2  -0.266022D+00 -0.265002D+02  0.216821D+03  0.186903D+02 -0.185473D+02
      3   0.255248D+02 -0.543077D+04  0.263549D+03 -0.127433D+02 -0.799411D+04
               316           317           318           319           320 
      1  -0.265275D+01  0.558351D+01  0.185272D+01  0.465508D+01  0.401424D+01
      2   0.151434D+02  0.106980D+01 -0.194821D+02 -0.181873D+02 -0.260275D+01
      3  -0.577126D+02 -0.300393D+02 -0.115045D+03  0.455799D+03  0.115406D+03
               321           322           323           324           325 
      1  -0.349982D+01 -0.943969D+01 -0.165339D+00  0.406433D+01  0.367479D+00
      2   0.201294D+02  0.850245D+02  0.164169D+02 -0.367441D+02 -0.912373D+00
      3  -0.206161D+03 -0.356048D+03 -0.653607D+02 -0.134474D+04 -0.491439D+02
               326           327           328           329           330 
      1   0.652654D+00  0.511552D+01 -0.178563D+01 -0.139508D+01 -0.148404D+01
      2  -0.115993D+02 -0.113341D+02  0.122200D+02  0.898331D+01  0.723350D+01
      3   0.126301D+02  0.488412D+03  0.385580D+02  0.323304D+02 -0.268132D+03
               331           332           333           334           335 
      1   0.537227D+01  0.172403D+00 -0.994032D+01 -0.182035D+01  0.368009D+01
      2  -0.251386D+02  0.647932D+01  0.408973D+02  0.149106D+01  0.545821D+00
      3   0.183501D+03  0.641191D+02 -0.958939D+03  0.156796D+03 -0.100680D+02
               336           337           338           339           340 
      1   0.324868D+01  0.637493D+01  0.101647D+01  0.608400D+01  0.291449D+01
      2   0.681506D+01 -0.394368D+01  0.104447D+01 -0.982005D-01  0.211600D+02
      3  -0.297883D+02  0.395244D+03  0.677386D+02  0.543997D+03  0.444895D+03
               341           342           343           344           345 
      1   0.557806D+00  0.405365D+01 -0.222879D+01 -0.286717D+01 -0.331500D+00
      2   0.138923D+01  0.305265D+01  0.130723D+02  0.546044D+01 -0.136515D+02
      3   0.697180D+02 -0.952125D+02 -0.406406D+02 -0.210929D+00 -0.400325D+03
               346           347           348           349           350 
      1  -0.653332D+00 -0.577701D+01  0.186362D+01 -0.280374D+01  0.565227D+01
      2  -0.103256D+02  0.100623D+02 -0.142754D+02 -0.154851D+01 -0.136700D+02
      3  -0.866345D+02  0.184097D+02  0.538433D+03 -0.145251D+03 -0.317144D+02
               351           352           353           354           355 
      1  -0.895712D+01 -0.127149D+01  0.135051D+00  0.982055D+01  0.583485D+01
      2   0.351953D+02  0.196162D+01  0.875469D+00 -0.111648D+02 -0.806578D+01
      3  -0.231493D+03  0.857698D+03  0.715294D+02  0.159626D+03  0.616101D+03
               356           357           358           359           360 
      1  -0.125307D+01  0.467031D+00 -0.598114D+01  0.202766D+01 -0.652535D+01
      2  -0.804246D+00 -0.647773D+01 -0.591839D+00 -0.422730D+01  0.532560D+01
      3   0.617514D+02  0.918970D+03 -0.700259D+03 -0.572152D+02 -0.662528D+03
               361           362           363           364           365 
      1   0.104788D+02  0.367897D+01  0.511690D+01  0.516310D+01  0.361382D+01
      2  -0.225891D+02 -0.519518D+01 -0.257874D+02 -0.191525D+02 -0.760663D+01
      3   0.293343D+03  0.489481D+02  0.369102D+03  0.215937D+02 -0.164834D+00
               366           367           368           369           370 
      1   0.295346D+01  0.792330D+00  0.236132D+01  0.426666D+01  0.220899D+01
      2  -0.125782D+02 -0.575093D+01 -0.256613D+01 -0.293938D+01 -0.103403D+02
      3   0.778284D+03  0.318979D+03  0.153330D+02 -0.385535D+02  0.202874D+03
               371           372           373           374           375 
      1  -0.639299D+00  0.150074D+01 -0.180451D+01 -0.121198D+02  0.740189D+01
      2   0.992855D+00 -0.498969D+01  0.192938D+01 -0.117916D+02  0.163784D+02
      3   0.141703D+02  0.158739D+03  0.137479D+03 -0.151885D+02 -0.663325D+02
               376           377           378           379           380 
      1   0.121926D+01  0.810540D+01 -0.690934D+01  0.832190D+01 -0.696949D+01
      2  -0.334292D+01  0.101409D+02 -0.206819D+02 -0.367926D+01  0.880404D+00
      3  -0.887787D+00  0.117004D+02 -0.197333D+02  0.886808D+02 -0.146694D+02
               381           382           383           384           385 
      1  -0.242558D+01 -0.800337D+01  0.108502D+02  0.735794D+01 -0.517923D+01
      2   0.847258D+00  0.272001D+01 -0.571782D+01 -0.827494D+01  0.620964D+01
      3   0.489304D+03 -0.796385D+02  0.250006D+02  0.513763D+03 -0.351486D+02
               386           387           388           389           390 
      1   0.635490D+01  0.481577D+01 -0.466281D+01 -0.157253D+01 -0.434306D+01
      2  -0.240879D+01 -0.566755D+01  0.107957D+02  0.556669D+01  0.181072D+02
      3   0.194922D+02  0.418600D+03 -0.134399D+03 -0.112606D+02  0.301579D+03
               391           392           393           394           395 
      1  -0.278705D+01 -0.171580D+01 -0.496085D+01 -0.331178D+01 -0.164648D+01
      2   0.189369D+01  0.517886D+01  0.123252D+02  0.102145D+02  0.925129D+01
      3  -0.473299D+02 -0.141647D+02 -0.488105D+02  0.949035D+02  0.126660D+01
               396           397           398           399           400 
      1  -0.933804D+01  0.859108D+01 -0.313044D+01 -0.102367D+01 -0.378758D+01
      2   0.342808D+02 -0.195531D+02 -0.148622D+01  0.480302D+01 -0.272434D+02
      3  -0.839500D+02  0.284427D+03 -0.361696D+02 -0.137972D+04 -0.379153D+02
               401           402           403           404           405 
      1   0.492455D+01  0.977824D+00 -0.540311D+01  0.250914D+01  0.164520D+01
      2  -0.774874D+01 -0.328085D+01  0.495375D+01 -0.138040D+01 -0.592293D+00
      3   0.223118D+02 -0.114601D+03 -0.175601D+03 -0.485352D+01  0.175479D+03
               406           407           408           409           410 
      1   0.148146D+01 -0.312034D+00  0.222158D+01 -0.927553D+00 -0.283349D+01
      2   0.295659D+01  0.241177D+00 -0.201873D+01 -0.448250D+01 -0.157365D+02
      3   0.266382D+03  0.650806D+02  0.254939D+03  0.617518D+02 -0.220539D+02
               411           412           413           414           415 
      1  -0.632767D+00 -0.236621D+01  0.119600D+01  0.119855D+01 -0.653698D+01
      2   0.166918D+02  0.896514D+01  0.153930D+02 -0.143104D+02  0.117809D+02
      3  -0.161879D+03 -0.137988D+03  0.613417D+01 -0.246191D+02 -0.150677D+03
               416           417           418           419           420 
      1   0.529853D+01  0.651310D+01  0.616379D+01 -0.724554D+01 -0.463167D+01
      2  -0.892499D+00 -0.167255D+01 -0.782120D+01  0.308265D+01  0.236005D+01
      3   0.258703D+02  0.728443D+03 -0.271710D+03 -0.249762D+02  0.905574D+03
               421           422           423           424           425 
      1   0.710686D+01 -0.547685D+01 -0.477332D+01 -0.385007D+01 -0.104742D+01
      2  -0.212309D+02  0.387922D+01 -0.237873D+01  0.201231D+02  0.437670D+01
      3   0.143421D+02  0.116515D+01  0.216644D+03  0.154202D+03  0.189122D+02
               426           427           428           429           430 
      1  -0.309739D+01  0.881702D+00 -0.270078D+01 -0.404325D+00 -0.320294D+01
      2   0.152452D+01 -0.316467D+01  0.275366D+01 -0.371494D+01  0.610286D+01
      3  -0.597278D+02  0.233175D+03  0.194583D+02 -0.105391D+04 -0.182960D+03
               431           432           433           434           435 
      1  -0.197544D+01  0.780963D+00  0.532857D+01 -0.685944D+00  0.860251D+01
      2   0.394965D+01  0.481644D+00 -0.240843D+02  0.357496D+00 -0.588268D+01
      3  -0.246162D+02  0.569030D+03  0.101463D+02  0.313289D+02  0.470414D+03
               436           437           438           439           440 
      1   0.722629D+00  0.254979D+01  0.631371D+00  0.308208D+01 -0.212857D+01
      2  -0.116869D+00 -0.169643D+01 -0.456887D+01 -0.707904D+01  0.607141D+01
      3   0.371298D+02  0.249925D+01  0.346169D+02  0.137623D+02 -0.592157D+01
               441           442           443           444           445 
      1   0.225573D+02 -0.245303D+01  0.605894D+00  0.142965D+01  0.141393D+01
      2  -0.151395D+02  0.106805D+02 -0.999364D+00 -0.478095D+01 -0.178416D+01
      3   0.407362D+03  0.223252D+03  0.149249D+02 -0.155863D+03  0.121669D+03
               446           447           448           449           450 
      1   0.121216D+02  0.739800D+01  0.786747D+00  0.806632D+01  0.691111D+01
      2   0.118139D+02  0.163566D+02 -0.327766D+01  0.101310D+02  0.205464D+02
      3  -0.156618D+02  0.726342D+02  0.984047D+01 -0.107401D+02 -0.213347D+02
               451           452           453           454           455 
      1  -0.111246D+02 -0.371748D+01  0.503710D+01 -0.546769D+01 -0.363089D+01
      2   0.245963D+02  0.527591D+01 -0.252142D+02  0.204635D+02  0.768879D+01
      3   0.351332D+03  0.519510D+02 -0.357845D+03  0.138494D+03  0.379612D+01
               456           457           458           459           460 
      1   0.279761D+01  0.115615D+01  0.238287D+01 -0.431183D+01 -0.873760D+01
      2  -0.117590D+02 -0.531689D+01 -0.249742D+01  0.301346D+01  0.482815D+01
      3  -0.780455D+03 -0.307927D+03 -0.144003D+02 -0.366249D+02  0.167274D+03
               461           462           463           464           465 
      1   0.691624D+01 -0.252229D+01  0.802013D+01 -0.108071D+02  0.727617D+01
      2  -0.836079D+00  0.144645D+01 -0.233629D+01  0.572470D+01 -0.768067D+01
      3  -0.121781D+02 -0.490575D+03 -0.506571D-01  0.268295D+02 -0.518735D+03
               466           467           468           469           470 
      1  -0.522458D+01  0.638506D+01 -0.472104D+01 -0.181228D+01  0.289899D+00
      2   0.616231D+01 -0.244300D+01  0.528374D+01 -0.311075D+01 -0.307159D+00
      3  -0.334462D+02 -0.219742D+02  0.421441D+03  0.316037D+03  0.683519D+02
               471           472           473           474           475 
      1   0.217540D+01  0.608558D+00  0.283049D+01 -0.590089D+00 -0.256572D+01
      2  -0.172210D+01  0.422942D+01  0.157438D+02  0.165888D+02  0.919941D+01
      3  -0.218011D+03  0.318075D+02 -0.234706D+02  0.165668D+03  0.141586D+03
               476           477           478           479           480 
      1   0.119940D+01 -0.119476D+01 -0.876344D+01  0.314387D+01 -0.717698D+00
      2   0.154102D+02  0.143592D+02  0.200268D+02  0.145590D+01  0.315601D+01
      3  -0.604819D+01 -0.180617D+02  0.815333D+02 -0.426862D+02  0.137287D+04
               481           482           483           484           485 
      1   0.394178D+01 -0.492473D+01  0.105639D+01 -0.544707D+01  0.253972D+01
      2   0.267698D+02  0.775069D+01 -0.361301D+01  0.562380D+01 -0.138663D+01
      3  -0.536732D+02  0.213377D+02  0.111699D+03  0.150481D+03  0.394826D+01
               486           487           488           489           490 
      1  -0.163547D+01  0.476554D+01  0.156852D+01 -0.442888D+01  0.287363D+01
      2   0.589062D+00 -0.114570D+02 -0.563718D+01  0.183407D+02 -0.213079D+01
      3   0.173245D+03 -0.836341D+02 -0.946783D+01 -0.311806D+03 -0.541885D+02
               491           492           493           494           495 
      1   0.171540D+01 -0.495007D+01 -0.320022D+01 -0.163536D+01  0.930609D+01
      2  -0.516560D+01  0.121842D+02  0.103023D+02  0.923908D+01 -0.340733D+02
      3  -0.145405D+02  0.465993D+02 -0.859375D+02 -0.155945D+01 -0.901619D+02
               496           497           498           499           500 
      1   0.106444D+01 -0.374620D+01  0.333183D+01 -0.739465D+01 -0.107586D+01
      2  -0.108359D+01 -0.463849D+00  0.667618D+01  0.344685D+01 -0.104910D+01
      3   0.169159D+03 -0.915116D+01  0.252008D+02  0.477169D+03  0.719019D+02
               501           502           503           504           505 
      1   0.598204D+01  0.360327D+01  0.588518D+00 -0.405899D+01  0.250808D+01
      2   0.573972D+00  0.222335D+02  0.143026D+01 -0.308800D+01 -0.126822D+02
      3  -0.535690D+03 -0.428516D+03 -0.695098D+02 -0.108032D+03 -0.107219D+03
               506           507           508           509           510 
      1   0.288625D+01 -0.284915D+00  0.841491D+00  0.579184D+01  0.177923D+01
      2  -0.543883D+01 -0.139345D+02  0.995011D+01 -0.100920D+02 -0.138728D+02
      3  -0.217977D+01  0.403546D+03  0.886685D+00  0.211493D+02 -0.543451D+03
               511           512           513           514           515 
      1  -0.306557D+01  0.561829D+01  0.894081D+01  0.462225D-01 -0.626938D+00
      2  -0.223181D+01 -0.137022D+02 -0.350053D+02 -0.644469D+00  0.115064D+02
      3   0.182976D+03  0.331760D+02 -0.224730D+03  0.211972D+02  0.145494D+02
               516           517           518           519           520 
      1   0.501486D+01  0.175221D+01  0.140098D+01 -0.143735D+01  0.509551D+01
      2  -0.108488D+02 -0.122411D+02 -0.901205D+01  0.700046D+01 -0.225073D+02
      3  -0.491615D+03 -0.643500D+01  0.313057D+02  0.275296D+03 -0.319467D+02
               521           522           523           524           525 
      1   0.145045D+00  0.976488D+01  0.194485D+01 -0.561542D+01  0.188089D+01
      2   0.669687D+01 -0.401209D+02 -0.118001D+02 -0.944303D+00 -0.196900D+02
      3  -0.595441D+02 -0.976465D+03 -0.852589D+02 -0.310560D+02  0.134318D+03
               526           527           528           529           530 
      1  -0.462829D+01 -0.400196D+01 -0.342900D+01 -0.879198D+01 -0.149104D+00
      2   0.152046D+02  0.232852D+01  0.197149D+02  0.780466D+02  0.161199D+02
      3   0.418351D+03  0.113700D+03  0.208405D+03  0.570660D+03  0.717314D+02
               531           532           533           534           535 
      1  -0.431042D+01  0.238795D+00 -0.169488D+00  0.971844D+01 -0.609708D+01
      2   0.378212D+02 -0.531712D+00 -0.863559D+00 -0.106967D+02  0.696695D+01
      3  -0.135178D+04  0.875381D+03  0.737646D+02 -0.150056D+03  0.748445D+03
               536           537           538           539           540 
      1   0.125057D+01  0.210099D+00 -0.668381D+01  0.200188D+01  0.642359D+01
      2   0.738555D+00 -0.536735D+01 -0.645386D-01 -0.423280D+01 -0.483322D+01
      3   0.660478D+02 -0.910298D+03  0.815702D+03  0.627425D+02 -0.663327D+03
               541           542           543           544           545 
      1   0.371235D+01  0.103728D+01 -0.307532D+01 -0.137737D+01  0.265439D+01
      2  -0.198006D+02 -0.437054D+01  0.142020D+01  0.414584D+01 -0.268165D+01
      3   0.145256D+03  0.174497D+02  0.495870D+02  0.615361D+02  0.132850D+02
               546           547           548           549           550 
      1  -0.241643D+00 -0.328872D+01 -0.198320D+01 -0.657491D+00  0.667514D+01
      2  -0.474996D+01  0.615310D+01  0.395151D+01 -0.106742D+01 -0.116539D+02
      3   0.104714D+04  0.840418D+02  0.206554D+02  0.557242D+03 -0.352005D+02
               551           552           553           554           555 
      1  -0.529597D+01  0.639221D+01 -0.632419D+01  0.725134D+01 -0.481446D+01
      2   0.930722D+00 -0.105857D+01  0.778537D+01 -0.310857D+01  0.328618D+01
      3   0.303910D+02 -0.738890D+03 -0.123004D+03 -0.201853D+02 -0.900740D+03
               556           557           558           559           560 
      1   0.735954D+01 -0.548427D+01  0.484445D+01 -0.533092D+01  0.694012D+00
      2  -0.219646D+02  0.388494D+01  0.216808D+01  0.233057D+02 -0.432686D+00
      3  -0.519142D+02 -0.233722D+01  0.210059D+03  0.847840D+02  0.343559D+02
               561           562           563           564           565 
      1   0.853278D+01 -0.903849D+00 -0.255916D+01  0.612408D+00  0.287932D+01
      2  -0.542945D+01  0.116179D+01  0.176133D+01 -0.454525D+01 -0.607722D+01
      3  -0.455500D+03  0.429847D+02  0.306950D+01 -0.416900D+02 -0.772684D+02
               566           567 
      1  -0.214499D+01 -0.224509D+02
      2   0.612358D+01  0.147531D+02
      3   0.387143D+01  0.396517D+03
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.128388D+03 -0.155265D+02  0.370339D+02 -0.868247D+01  0.286567D+02
      2   0.774302D+02  0.184536D+02 -0.147759D+02  0.332228D+01 -0.180683D+02
      3   0.509574D+02 -0.292703D+01 -0.222580D+02  0.536019D+01 -0.105885D+02
      4  -0.685908D+00  0.175018D+02  0.789947D+01  0.763695D+01 -0.140131D+02
      5   0.501302D+02  0.879526D+01  0.119962D+02 -0.125446D+01 -0.272737D+00
      6   0.228329D+00 -0.500647D+01 -0.167590D+01 -0.388278D+01  0.319137D+01
                 6             7             8             9            10 
      1   0.698592D+01 -0.156074D+02  0.479125D+01  0.305619D+02 -0.271160D+02
      2   0.713117D+01  0.190420D+02  0.807889D+01 -0.117105D+02  0.212783D+02
      3  -0.141171D+02 -0.343458D+01 -0.128701D+02 -0.188514D+02  0.583772D+01
      4   0.906482D+01  0.230531D+02 -0.108960D+01  0.382772D+02  0.362868D+02
      5   0.359211D+02  0.297379D+02  0.346367D+02 -0.536174D+01 -0.557569D+01
      6  -0.478553D+00  0.390255D+01  0.353591D+01 -0.114664D+02 -0.161043D+00
                11            12            13            14            15 
      1   0.980135D+01  0.559648D+01  0.247419D+02 -0.438379D+02  0.223794D+02
      2  -0.123045D+01 -0.574371D+01 -0.839476D+01  0.256826D+02 -0.213459D+02
      3  -0.857090D+01  0.147231D+00 -0.163471D+02  0.181553D+02 -0.103355D+01
      4  -0.345617D+02 -0.271250D+02 -0.119555D+03  0.488742D+01 -0.766934D+02
      5   0.124236D+02 -0.263601D+02  0.219372D+02 -0.203557D+02 -0.526895D+02
      6   0.317238D+01 -0.227638D+01 -0.241650D+00 -0.121742D+01 -0.106866D+02
                16            17            18            19            20 
      1   0.242636D+02  0.928900D+01 -0.350620D+02  0.145871D+03  0.585745D+02
      2  -0.256070D+02 -0.956866D+01  0.208284D+02 -0.866765D+02 -0.454333D+02
      3   0.134345D+01  0.279662D+00  0.142336D+02 -0.591941D+02 -0.131412D+02
      4  -0.550962D+02 -0.184976D+02 -0.878955D+02 -0.390845D+02  0.849600D+02
      5  -0.602606D+02 -0.344977D+02  0.679424D+01 -0.442954D+01  0.159070D+01
      6  -0.763413D+01 -0.706367D+01 -0.229019D+00  0.149701D+02 -0.557902D+01
                21            22            23            24            25 
      1  -0.361580D+02 -0.507459D+02  0.278718D+02  0.456628D+02 -0.179526D+02
      2   0.214005D+02  0.585444D+02 -0.775399D+01 -0.627766D+02  0.115279D+02
      3   0.147575D+02 -0.779849D+01 -0.201178D+02  0.171139D+02  0.642473D+01
      4   0.198233D+01  0.446886D+03  0.840696D+02 -0.409105D+03 -0.436177D+02
      5   0.192862D+02 -0.147243D+02  0.959430D+01  0.484155D+02  0.648593D+02
      6  -0.269204D+01 -0.496646D+01  0.543709D-01  0.189795D+02  0.137325D+02
                26            27            28            29            30 
      1  -0.405473D+01  0.172373D+02 -0.124310D+03  0.162226D+02  0.496394D+02
      2   0.380235D+01 -0.216049D+02  0.259890D+02 -0.241133D+02 -0.468210D+02
      3   0.252384D+00  0.436761D+01  0.983212D+02  0.789069D+01 -0.281840D+01
      4   0.268392D+02  0.345950D+02 -0.224429D+03 -0.250690D+02 -0.166547D+02
      5   0.167262D+02  0.898094D+01  0.465882D+01 -0.436122D+01 -0.152206D+02
      6   0.861670D+01 -0.830167D+00 -0.529690D+02 -0.101703D+02 -0.631392D+01
                31            32            33            34            35 
      1   0.204486D+03  0.555133D+02 -0.295975D+03  0.705175D+02 -0.256906D+01
      2  -0.211940D+03 -0.592553D+02  0.311055D+03 -0.656444D+02 -0.453113D+01
      3   0.745376D+01  0.374198D+01 -0.150801D+02 -0.487306D+01  0.710019D+01
      4  -0.109050D+04 -0.547324D+02  0.183485D+04 -0.306600D+03 -0.160411D+02
      5   0.434039D+00 -0.345592D+01 -0.320492D+02  0.383570D+02  0.198102D+02
      6   0.122293D+02 -0.113796D+02 -0.345404D+02  0.178088D+02  0.417282D+01
                36            37            38            39            40 
      1  -0.815141D+02 -0.152712D+02  0.110452D+02 -0.283055D+02  0.102111D+03
      2   0.663597D+02  0.505091D+02  0.628242D+01  0.357194D+02 -0.309028D+02
      3   0.151544D+02 -0.352379D+02 -0.173277D+02 -0.741393D+01 -0.712078D+02
      4   0.471217D+03  0.102701D+03  0.305081D+02  0.178701D+03  0.224209D+03
      5   0.129630D+02 -0.278641D+01  0.237911D+02 -0.278768D+02  0.519982D+02
      6  -0.977417D+01  0.241227D+02  0.991762D+01 -0.725471D+01  0.173423D+02
                41            42            43            44            45 
      1   0.146451D+02  0.682396D+02 -0.623744D+02  0.332805D+02 -0.543033D+02
      2   0.126656D+01 -0.626298D+02  0.458100D+02 -0.288874D+02  0.482476D+02
      3  -0.159117D+02 -0.560974D+01  0.165644D+02 -0.439311D+01  0.605572D+01
      4   0.368702D+02 -0.250114D+03  0.149536D+03  0.329661D+01  0.841796D+02
      5  -0.116483D+02  0.250023D+02 -0.944243D+02 -0.230840D+02  0.136991D+02
      6  -0.365266D+01  0.847873D+01 -0.402941D+02 -0.849578D+01  0.177709D+02
                46            47            48            49            50 
      1   0.148559D+02 -0.236917D+02  0.215848D+02 -0.257912D+02 -0.407988D+02
      2  -0.258201D+02 -0.664492D+01 -0.186284D+01 -0.472531D+01  0.171380D+02
      3   0.109642D+02  0.303366D+02 -0.197219D+02  0.305166D+02  0.236607D+02
      4  -0.105074D+03 -0.603219D+02  0.305527D+02 -0.117098D+03 -0.301857D+02
      5   0.309310D+02  0.762169D+01  0.216301D+02  0.199204D+02  0.305351D+02
      6   0.204866D+02  0.102245D+02  0.154743D+02  0.209602D+02  0.131126D+02
                51            52            53            54            55 
      1  -0.144353D+02 -0.133320D+01 -0.215028D+02  0.315258D+02 -0.444198D+02
      2   0.120174D+02  0.896771D+01  0.134223D+02 -0.160295D+02  0.405936D+01
      3   0.241796D+01 -0.763451D+01  0.808045D+01 -0.154962D+02  0.403604D+02
      4   0.462985D+02 -0.204360D+02 -0.848751D+01  0.870022D+02 -0.308260D+02
      5  -0.251597D+01  0.436534D+02  0.506135D+01 -0.228396D+02  0.154912D+02
      6  -0.824865D+01  0.217575D+02 -0.414202D+01 -0.524332D+01 -0.950798D+01
                56            57            58            59            60 
      1  -0.689461D+02  0.149497D+02 -0.140087D+03  0.450746D+01 -0.571305D+02
      2   0.426403D+02 -0.179333D+02  0.788051D+02 -0.122482D+02  0.456716D+02
      3   0.263058D+02  0.298365D+01  0.612816D+02  0.774072D+01  0.114589D+02
      4  -0.207257D+01  0.281203D+02  0.814806D+01  0.869363D+01  0.212482D+03
      5  -0.254114D+02  0.486925D+02 -0.567405D+02  0.284771D+02  0.288205D+02
      6  -0.184276D+01  0.538571D+01 -0.711635D+01  0.189192D+01  0.143359D+02
                61            62            63            64            65 
      1   0.438682D+02 -0.236262D+02  0.662673D+02  0.346881D+03  0.194785D+02
      2  -0.298924D+02  0.167873D+02 -0.348684D+02 -0.275184D+03 -0.110570D+02
      3  -0.139758D+02  0.683897D+01 -0.313989D+02 -0.716977D+02 -0.842148D+01
      4   0.506211D+02  0.378840D+02 -0.380252D+02 -0.136168D+04 -0.817085D+02
      5   0.685328D+02  0.269112D+02  0.351604D+00  0.207831D+03  0.150357D+02
      6   0.127209D+02  0.114469D+02  0.607454D+01  0.137977D+03  0.131385D+02
                66            67            68            69            70 
      1  -0.749324D+03 -0.449030D+02 -0.212631D+02 -0.475841D+03  0.319629D+02
      2   0.855038D+03  0.674531D+02  0.276297D+02  0.569655D+03 -0.247605D+02
      3  -0.105714D+03 -0.225501D+02 -0.636660D+01 -0.938145D+02 -0.720238D+01
      4   0.566229D+04  0.675533D+03  0.102655D+03  0.404849D+04 -0.384825D+02
      5  -0.179055D+02  0.180190D+03  0.218184D+02  0.215341D+02  0.143037D+03
      6  -0.376637D+02  0.590422D+02  0.790290D+01  0.223115D+02  0.685506D+02
                71            72            73            74            75 
      1  -0.178765D+01 -0.291487D+02 -0.257960D+03 -0.323674D+02 -0.106725D+01
      2   0.178939D+01  0.629575D+02  0.159443D+03  0.316082D+02  0.105507D+01
      3  -0.173768D-02 -0.338088D+02  0.985173D+02  0.759152D+00  0.121806D-01
      4   0.124561D+02  0.593033D+03  0.790104D+03  0.224690D+03  0.730549D+01
      5   0.144800D+02 -0.991524D+01 -0.504935D+01 -0.797900D-01  0.355837D+02
      6   0.116826D+02  0.970739D-02 -0.324148D+01 -0.712409D+00  0.122004D+02
                76            77            78            79            80 
      1   0.121427D+02 -0.263851D+02 -0.170266D+01  0.323742D+02  0.122981D+01
      2  -0.901284D+02  0.141991D+02  0.187266D+01 -0.273948D+02 -0.108934D+01
      3   0.779857D+02  0.121860D+02 -0.170000D+00 -0.497936D+01 -0.140470D+00
      4  -0.126655D+04  0.225207D+02  0.134102D+02 -0.139366D+03 -0.572617D+01
      5  -0.119149D+01 -0.707508D-01  0.209932D+02 -0.216667D+03 -0.546620D+01
      6   0.553629D+01  0.512378D-01 -0.362565D+02 -0.100878D+03 -0.129220D+00
                81            82            83            84            85 
      1  -0.435946D+03 -0.222913D+02 -0.607648D+02 -0.608341D+03 -0.472253D+02
      2   0.342058D+03  0.705249D+02  0.529916D+02  0.628489D+03  0.771377D+02
      3   0.938882D+02 -0.482337D+02  0.777312D+01 -0.201479D+02 -0.299125D+02
      4   0.176012D+04  0.307691D+03 -0.351058D+02  0.429108D+04  0.841034D+03
      5   0.664092D+00  0.164954D+03  0.157337D+02  0.576429D+02 -0.146455D+03
      6  -0.387244D+01  0.107893D+03  0.770617D+01  0.213852D+02 -0.681173D+02
                86            87            88            89            90 
      1   0.515573D+01  0.506692D+03 -0.607514D+02 -0.397357D+01  0.347221D+03
      2  -0.236129D+01 -0.560813D+03  0.589997D+02  0.128783D+01 -0.344295D+03
      3  -0.279443D+01  0.541218D+02  0.175170D+01  0.268574D+01 -0.292544D+01
      4  -0.961655D+02 -0.416154D+04  0.329245D+03  0.183800D+02 -0.206880D+04
      5  -0.197416D+02 -0.207145D+02 -0.133887D+02 -0.669185D+01 -0.880043D+01
      6   0.210939D-01  0.313094D+02 -0.881027D+01  0.731777D+01  0.103487D+02
                91            92            93            94            95 
      1  -0.428030D+02  0.259098D+02  0.759674D+02 -0.988955D+02 -0.106184D+03
      2  -0.112532D+02 -0.264257D+02 -0.339978D+02  0.765755D+02  0.815342D+02
      3   0.540562D+02  0.515821D+00 -0.419696D+02  0.223200D+02  0.246500D+02
      4   0.490497D+01 -0.824135D+02 -0.999305D+02 -0.359205D+03 -0.625421D+02
      5  -0.151538D+02 -0.468420D+01 -0.586186D+02 -0.702296D+02 -0.148871D+02
      6  -0.493701D+02 -0.983047D+00 -0.683226D+01 -0.125659D+02  0.534164D+00
                96            97            98            99           100 
      1   0.230578D+03 -0.429198D+02 -0.143068D+02 -0.609672D+02 -0.253613D+02
      2  -0.233747D+03  0.249710D+02  0.792128D+01  0.479236D+02  0.338425D+02
      3   0.316855D+01  0.179488D+02  0.638549D+01  0.130436D+02 -0.848114D+01
      4  -0.145002D+04 -0.653340D+02 -0.900187D+01  0.151071D+03  0.640108D+01
      5  -0.315171D+02 -0.188204D+02 -0.251293D+02 -0.129794D+02  0.818744D+01
      6  -0.106114D+02 -0.885148D+01  0.126458D+02  0.387473D+00  0.949257D+01
               101           102           103           104           105 
      1  -0.229184D+02 -0.282680D+02  0.426887D+00  0.522934D+02 -0.358227D+01
      2   0.160428D+02  0.303328D+02 -0.378105D+02 -0.449533D+02  0.121911D+02
      3   0.687563D+01 -0.206482D+01  0.373836D+02 -0.734005D+01 -0.860881D+01
      4  -0.316807D+02  0.263588D+03  0.161814D+03 -0.131694D+02  0.819715D+02
      5  -0.154091D+01 -0.151876D+02  0.229996D+02  0.551770D+00 -0.723257D+01
      6  -0.337387D+01  0.109841D+02 -0.152354D+02  0.226954D+01 -0.396115D+01
               106           107           108           109           110 
      1   0.426421D+02  0.435456D+01 -0.144149D+02  0.320226D+02  0.133026D+02
      2  -0.381553D+02  0.102690D+01  0.454776D+01 -0.205147D+02 -0.206244D+02
      3  -0.448686D+01 -0.538146D+01  0.986714D+01 -0.115079D+02  0.732179D+01
      4  -0.254473D+02 -0.303510D+02 -0.394013D+01 -0.387350D+02  0.311185D+02
      5  -0.205376D+02  0.136767D+02  0.277526D+00  0.208276D+02 -0.265424D+01
      6   0.889315D+01 -0.149116D+02 -0.120630D+00 -0.110967D+02  0.317593D+01
               111           112           113           114           115 
      1  -0.112405D+02 -0.970781D+01 -0.209011D+02  0.300852D+02  0.150544D+02
      2   0.168400D+02  0.589312D+01  0.328057D+02 -0.358165D+02 -0.134852D+02
      3  -0.559944D+01  0.381469D+01 -0.119046D+02  0.573131D+01 -0.156919D+01
      4   0.119815D+03  0.309835D+02 -0.295727D+02 -0.159386D+03 -0.337707D+02
      5   0.112105D+02 -0.132622D+02  0.789279D+01 -0.498324D+01  0.267751D+02
      6  -0.845745D+01  0.385787D+01 -0.121078D+02  0.107372D+02 -0.143623D+02
               116           117           118           119           120 
      1   0.196917D+02 -0.254763D+02 -0.249056D+01 -0.327650D+02  0.128970D+01
      2  -0.242539D+02  0.280034D+02 -0.301602D+02  0.556451D+01 -0.147070D+02
      3   0.456217D+01 -0.252714D+01  0.326508D+02  0.272005D+02  0.134173D+02
      4   0.304958D+02  0.147539D+03 -0.351598D+02 -0.439634D+02  0.345550D+02
      5  -0.139592D+02  0.286196D+02 -0.479596D+01 -0.167101D+02  0.226875D+02
      6   0.198197D+02 -0.280427D+02 -0.506702D+01 -0.156571D+02  0.187904D+02
               121           122           123           124           125 
      1  -0.221561D+02 -0.200980D+02 -0.156861D+02  0.652058D+01 -0.210868D+02
      2   0.113409D+01  0.578094D+01  0.134085D+02 -0.151590D+02  0.276373D+02
      3   0.210220D+02  0.143171D+02  0.227765D+01  0.863847D+01 -0.655045D+01
      4  -0.540551D+02 -0.171159D+02 -0.598268D+02  0.383580D-02  0.124311D+01
      5  -0.178481D+02  0.783671D+01 -0.620110D+01  0.189216D+02 -0.405619D+01
      6  -0.124105D+02  0.146419D+02 -0.173852D+01  0.170620D+02 -0.515197D+01
               126           127           128           129           130 
      1   0.429220D+02  0.185393D+02  0.659559D+02 -0.150898D+02  0.126571D+03
      2  -0.213842D+02  0.230263D+01 -0.402657D+02  0.188790D+02 -0.765645D+02
      3  -0.215378D+02 -0.208419D+02 -0.256902D+02 -0.378926D+01 -0.500067D+02
      4  -0.518377D+02  0.475198D+02 -0.363969D+01  0.367961D+02 -0.168410D+02
      5  -0.181249D+02 -0.103883D+02  0.280591D+02 -0.339732D+02  0.472430D+02
      6  -0.243891D+02  0.107998D+02  0.103419D+01 -0.293256D+01 -0.364219D+01
               131           132           133           134           135 
      1  -0.148395D+02  0.542719D+02 -0.258621D+02  0.295035D+02 -0.466851D+02
      2   0.891179D+01 -0.389351D+02  0.232053D+02 -0.176463D+02  0.142839D+02
      3   0.592775D+01 -0.153369D+02  0.265682D+01 -0.118572D+02  0.324012D+02
      4  -0.215401D+02 -0.116504D+03  0.204819D+02 -0.333396D+02 -0.124976D+02
      5  -0.378460D+02 -0.272911D+02 -0.533685D+02 -0.349318D+02  0.112812D+02
      6  -0.132077D+02 -0.190263D+02 -0.115007D+02 -0.186803D+02 -0.328769D+01
               136           137           138           139           140 
      1   0.345259D+02  0.358886D+02 -0.154252D+02  0.479244D+02  0.368377D+00
      2  -0.709699D+01 -0.260873D+02  0.214047D+02 -0.323571D+02  0.144635D+02
      3  -0.274289D+02 -0.980128D+01 -0.597945D+01 -0.155673D+02 -0.148318D+02
      4   0.406225D+02 -0.534570D+01  0.687988D+02 -0.196537D+02 -0.603274D+01
      5  -0.134759D+01  0.325867D+02 -0.315720D+02  0.348015D+02 -0.427347D+02
      6   0.169441D+02 -0.518233D+01  0.563445D+01 -0.146208D+02 -0.935368D+01
               141           142           143           144           145 
      1   0.318681D+02 -0.277123D+01  0.268871D+02 -0.271802D+02  0.227378D+03
      2  -0.101726D+02  0.137398D+02 -0.704416D+01  0.368288D+01 -0.138953D+03
      3  -0.216955D+02 -0.109685D+02 -0.198430D+02  0.234973D+02 -0.884246D+02
      4  -0.211455D+02  0.130349D+02 -0.245258D+02 -0.335168D+02 -0.459254D+03
      5  -0.115542D+02 -0.328010D+02 -0.133950D+02 -0.725241D+00 -0.202324D+03
      6  -0.314240D+02  0.160741D+01 -0.210416D+02 -0.109814D+02 -0.129846D+03
               146           147           148           149           150 
      1   0.151133D+02  0.749851D+03 -0.120970D+03 -0.238312D+02  0.476533D+03
      2  -0.621507D+01 -0.855701D+03  0.158507D+03  0.306654D+02 -0.570404D+03
      3  -0.889827D+01  0.105850D+03 -0.375362D+02 -0.683420D+01  0.938713D+02
      4  -0.502762D+02 -0.566647D+04  0.132169D+04  0.124163D+03 -0.405365D+04
      5  -0.147927D+02 -0.206158D+02 -0.182441D+03 -0.218884D+02  0.196833D+02
      6  -0.127662D+02 -0.125537D+02 -0.672377D+02 -0.848122D+01  0.403577D+02
               151           152           153           154           155 
      1  -0.276947D+02  0.187526D+01 -0.304391D+02 -0.117693D+03  0.166609D+02
      2   0.148827D+02 -0.199594D+01  0.644434D+02  0.197193D+02 -0.245453D+02
      3   0.128119D+02  0.120683D+00 -0.340043D+02  0.979735D+02  0.788433D+01
      4  -0.571178D+02 -0.146368D+02  0.603214D+03 -0.224054D+03 -0.262338D+02
      5   0.141763D+03  0.144407D+02  0.101421D+02 -0.477854D+01  0.428083D+01
      6   0.688129D+02  0.117128D+02 -0.278865D+01  0.546060D+02  0.103233D+02
               156           157           158           159           160 
      1  -0.501209D+02  0.158530D+03  0.536820D+02  0.296206D+03 -0.574060D+02
      2   0.474725D+02 -0.163596D+03 -0.573495D+02 -0.311280D+03  0.535670D+02
      3   0.264843D+01  0.506591D+01  0.366755D+01  0.150734D+02  0.383898D+01
      4   0.207530D+02 -0.801516D+03 -0.438178D+02 -0.183619D+04  0.236575D+03
      5  -0.150908D+02  0.484732D+01  0.371435D+01 -0.330745D+02  0.395223D+02
      6  -0.626381D+01 -0.433624D+01  0.119187D+02 -0.265332D+02  0.160394D+02
               161           162           163           164           165 
      1   0.301029D+01 -0.816410D+02 -0.177456D+02  0.109812D+02  0.284933D+02
      2   0.411750D+01  0.665108D+02  0.541557D+02  0.637515D+01 -0.358920D+02
      3  -0.712779D+01  0.151301D+02 -0.364101D+02 -0.173563D+02  0.739865D+01
      4   0.132455D+02  0.472357D+03  0.129921D+03  0.315242D+02 -0.179301D+03
      5   0.198791D+02 -0.128213D+02  0.266652D+01 -0.237746D+02 -0.277504D+02
      6   0.404886D+01  0.781151D+01 -0.244280D+02 -0.997268D+01 -0.651610D+01
               166           167           168           169           170 
      1   0.107994D+03  0.149487D+02 -0.683875D+02  0.639879D+02 -0.333309D+02
      2  -0.367415D+02  0.102707D+01  0.627451D+02 -0.484095D+02  0.288406D+02
      3  -0.712529D+02 -0.159758D+02  0.564236D+01 -0.155784D+02  0.449023D+01
      4   0.186648D+03  0.357033D+02  0.250730D+03 -0.167277D+03 -0.412116D+01
      5  -0.524757D+02  0.116766D+02  0.250229D+02 -0.954212D+02 -0.232365D+02
      6  -0.182818D+02  0.353300D+01  0.731552D+01 -0.394598D+02 -0.855348D+01
               171           172           173           174           175 
      1  -0.539732D+02 -0.436791D+02 -0.690551D+02 -0.153281D+02 -0.144085D+03
      2   0.479459D+02  0.414026D+01  0.427137D+02  0.182190D+02  0.832886D+02
      3   0.602726D+01  0.395389D+02  0.263413D+02 -0.289090D+01  0.607960D+02
      4   0.831015D+02 -0.242222D+02 -0.185762D+01 -0.268742D+02  0.368909D+02
      5  -0.136889D+02 -0.159904D+02  0.253633D+02  0.486213D+02  0.560246D+02
      6  -0.182917D+02  0.924050D+01  0.181227D+01  0.558570D+01  0.693748D+01
               176           177           178           179           180 
      1   0.435228D+01  0.570382D+02 -0.459308D+02  0.234632D+02  0.662426D+02
      2  -0.120416D+02 -0.455390D+02  0.318826D+02 -0.166054D+02 -0.348325D+02
      3   0.768930D+01 -0.114993D+02  0.140482D+02 -0.685787D+01 -0.314101D+02
      4   0.984442D+01 -0.212574D+03 -0.384962D+02 -0.374249D+02 -0.389453D+02
      5  -0.283913D+02  0.289242D+02  0.686474D+02  0.270140D+02 -0.212464D+00
      6  -0.186659D+01  0.151434D+02  0.130036D+02  0.114972D+02 -0.574957D+01
               181           182           183           184           185 
      1  -0.254692D+02  0.997391D+01 -0.547018D+01  0.260134D+02 -0.438625D+02
      2   0.200560D+02 -0.129112D+01  0.565631D+01 -0.100350D+02  0.256522D+02
      3   0.541321D+01 -0.868280D+01 -0.186134D+00 -0.159784D+02  0.182102D+02
      4   0.312717D+02 -0.349194D+02  0.276419D+02 -0.127161D+03  0.446246D+01
      5   0.647840D+01 -0.124202D+02 -0.262986D+02 -0.213744D+02  0.202702D+02
      6   0.651083D-01 -0.321554D+01 -0.248856D+01  0.801438D+00  0.118835D+01
               186           187           188           189           190 
      1  -0.222662D+02 -0.238964D+02 -0.917392D+01 -0.350542D+02  0.140197D+03
      2   0.212941D+02  0.259110D+02  0.957164D+01  0.208125D+02 -0.834580D+02
      3   0.972137D+00 -0.201461D+01 -0.397718D+00  0.142417D+02 -0.567386D+02
      4   0.764019D+02  0.635586D+02  0.186475D+02 -0.878600D+02 -0.405815D+02
      5  -0.526019D+02 -0.599237D+02 -0.346099D+02 -0.691398D+01  0.392357D+01
      6  -0.109096D+02 -0.812112D+01 -0.714677D+01  0.380556D+00 -0.143111D+02
               191           192           193           194           195 
      1   0.582243D+02  0.361397D+02 -0.433517D+02  0.281831D+02 -0.462667D+02
      2  -0.452458D+02 -0.213974D+02  0.483993D+02 -0.817955D+01  0.634196D+02
      3  -0.129785D+02 -0.147423D+02 -0.504760D+01 -0.200035D+02 -0.171530D+02
      4   0.856699D+02 -0.214974D+01  0.381735D+03  0.819210D+02  0.413224D+03
      5  -0.162265D+01  0.193450D+02  0.102597D+02 -0.989739D+01  0.486761D+02
      6   0.558017D+01 -0.270846D+01  0.174759D+01 -0.196814D+00  0.172262D+02
               196           197           198           199           200 
      1   0.181420D+02  0.409791D+01  0.170988D+02 -0.127599D+03 -0.155088D+02
      2  -0.110820D+02 -0.383190D+01 -0.214358D+02  0.769671D+02  0.185063D+02
      3  -0.706000D+01 -0.266009D+00  0.433699D+01  0.506320D+02 -0.299751D+01
      4   0.403217D+02 -0.270887D+02  0.359429D+02 -0.721176D+00  0.175066D+02
      5   0.651876D+02  0.167535D+02 -0.901736D+01 -0.503169D+02 -0.888694D+01
      6   0.132310D+02  0.870660D+01  0.786513D+00 -0.376969D+00  0.501981D+01
               201           202           203           204           205 
      1  -0.371973D+02 -0.929036D+01  0.285870D+02 -0.703790D+01  0.146650D+02
      2   0.149131D+02  0.375971D+01 -0.180396D+02 -0.716056D+01 -0.184826D+02
      3   0.222842D+02  0.553065D+01 -0.105475D+02  0.141985D+02  0.381756D+01
      4  -0.849226D+01  0.799000D+01 -0.139051D+02 -0.924091D+01 -0.244633D+02
      5   0.117806D+02  0.837382D+00  0.289092D+00  0.359316D+02  0.293161D+02
      6  -0.168311D+01  0.395182D+01 -0.315383D+01 -0.399053D+00  0.406450D+01
               206           207           208           209           210 
      1  -0.492415D+01  0.304912D+02  0.141139D+02 -0.236968D+02 -0.215457D+02
      2  -0.804554D+01 -0.117280D+02 -0.252458D+02 -0.668245D+01  0.179320D+01
      3   0.129697D+02 -0.187632D+02  0.111319D+02  0.303792D+02  0.197525D+02
      4   0.118364D+01  0.377793D+02 -0.101273D+03 -0.602962D+02 -0.313540D+02
      5   0.345479D+02  0.534689D+01 -0.313358D+02 -0.768911D+01  0.214618D+02
      6   0.359240D+01  0.114665D+02 -0.202006D+02 -0.101891D+02  0.155322D+02
               211           212           213           214           215 
      1  -0.271351D+02 -0.408026D+02  0.145114D+02  0.303734D+01  0.215904D+02
      2  -0.373677D+01  0.171949D+02 -0.120494D+02 -0.109274D+02 -0.135631D+02
      3   0.308719D+02  0.236076D+02 -0.246196D+01  0.789004D+01 -0.802735D+01
      4  -0.113839D+03 -0.300770D+02 -0.462485D+02  0.830125D+01  0.802336D+01
      5  -0.205763D+02 -0.305434D+02 -0.252178D+01  0.440139D+02  0.513678D+01
      6  -0.208651D+02 -0.131111D+02 -0.813388D+01  0.218220D+02 -0.413669D+01
               216           217           218           219           220 
      1   0.313311D+02  0.335969D+02  0.358587D+02  0.155210D+02  0.478309D+02
      2  -0.159903D+02 -0.599684D+01 -0.259875D+02 -0.213592D+02 -0.319996D+02
      3  -0.153408D+02 -0.276001D+02 -0.987119D+01  0.583820D+01 -0.158313D+02
      4   0.867998D+02  0.483841D+02 -0.524420D+01 -0.684052D+02 -0.169923D+02
      5   0.229771D+02  0.150941D+01 -0.324225D+02 -0.315045D+02 -0.347176D+02
      6   0.498936D+01 -0.169097D+02  0.526226D+01  0.574932D+01  0.147135D+02
               221           222           223           224           225 
      1   0.785152D-01 -0.317884D+02  0.270692D+01 -0.267112D+02 -0.269631D+02
      2   0.146581D+02  0.100202D+02 -0.134692D+02  0.688711D+01  0.351706D+01
      3  -0.147366D+02  0.217682D+02  0.107623D+02  0.198241D+02  0.234461D+02
      4  -0.589698D+01  0.210052D+02 -0.109315D+02  0.246869D+02 -0.337921D+02
      5   0.427720D+02 -0.117501D+02 -0.327936D+02 -0.135058D+02  0.568243D+00
      6   0.929225D+01 -0.313032D+02  0.160061D+01 -0.210725D+02  0.110423D+02
               226           227           228           229           230 
      1   0.171552D+02  0.659962D+02  0.153167D+02  0.128555D+03 -0.147613D+02
      2   0.331256D+01 -0.402419D+02 -0.189504D+02 -0.787375D+02  0.878477D+01
      3  -0.204678D+02 -0.257543D+02  0.363367D+01 -0.498171D+02  0.597657D+01
      4   0.498045D+02 -0.351145D+01 -0.370658D+02 -0.296679D+02 -0.221695D+02
      5   0.108831D+02 -0.279954D+02 -0.339095D+02 -0.469809D+02  0.378164D+02
      6  -0.106558D+02 -0.101598D+01 -0.283417D+01  0.369054D+01  0.132197D+02
               231           232           233           234           235 
      1  -0.541492D+02  0.265071D+02 -0.293030D+02 -0.465013D+02 -0.323177D+01
      2   0.388420D+02 -0.238412D+02  0.175349D+02  0.140871D+02 -0.292380D+02
      3   0.153072D+02 -0.266590D+01  0.117681D+02  0.324142D+02  0.324698D+02
      4   0.116241D+03 -0.251827D+02  0.332077D+02 -0.132956D+02 -0.282283D+02
      5  -0.274089D+02 -0.533231D+02 -0.350808D+02 -0.113845D+02  0.457776D+01
      6  -0.193850D+02 -0.114579D+02 -0.186668D+02  0.316926D+01  0.488595D+01
               236           237           238           239           240 
      1  -0.327561D+02 -0.149051D+01 -0.209801D+02 -0.200479D+02  0.158330D+02
      2   0.559965D+01  0.149025D+02 -0.514790D+00  0.560025D+01 -0.135183D+02
      3   0.271564D+02 -0.134120D+02  0.214949D+02  0.144477D+02 -0.231469D+01
      4  -0.437544D+02 -0.336902D+02 -0.642329D+02 -0.175713D+02  0.590037D+02
      5   0.167407D+02  0.226742D+02  0.180859D+02 -0.785552D+01 -0.604421D+01
      6   0.156696D+02  0.189358D+02  0.125326D+02 -0.146509D+02 -0.194414D+01
               241           242           243           244           245 
      1  -0.804088D+01  0.209928D+02  0.428327D+02 -0.324505D+02  0.266811D+02
      2   0.167708D+02 -0.275462D+02 -0.212329D+02 -0.155350D+02 -0.268927D+02
      3  -0.872996D+01  0.655339D+01 -0.215999D+02  0.479855D+02  0.211646D+00
      4   0.100394D+02 -0.885731D+00 -0.519619D+02 -0.963778D+01 -0.840022D+02
      5   0.190116D+02 -0.393354D+01  0.181875D+02  0.198235D+02  0.492870D+01
      6   0.170210D+02 -0.505003D+01  0.247547D+02  0.494900D+02  0.123294D+01
               246           247           248           249           250 
      1  -0.748771D+02 -0.608833D+02 -0.104569D+03 -0.230724D+03  0.482433D+02
      2   0.328182D+02  0.383276D+02  0.800226D+02  0.233856D+03 -0.302528D+02
      3   0.420590D+02  0.225557D+02  0.245463D+02 -0.313157D+01 -0.179905D+02
      4   0.923387D+02 -0.586773D+03 -0.715903D+02  0.145149D+04  0.391149D+02
      5  -0.586803D+02  0.709926D+02  0.149596D+02 -0.310218D+02 -0.191540D+02
      6  -0.719544D+01  0.160747D+02 -0.780962D+00 -0.169913D+02 -0.934901D+01
               251           252           253           254           255 
      1   0.144170D+02 -0.611513D+02 -0.296553D+02 -0.230486D+02  0.283360D+02
      2  -0.809652D+01  0.481006D+02  0.389643D+02  0.161904D+02 -0.304046D+02
      3  -0.632046D+01  0.130507D+02 -0.930901D+01  0.685824D+01  0.206866D+01
      4   0.754478D+01  0.151971D+03  0.491782D+02 -0.304275D+02 -0.263805D+03
      5  -0.251357D+02  0.131510D+02 -0.820906D+01  0.155010D+01 -0.153128D+02
      6   0.126970D+02 -0.104059D+01 -0.998397D+01  0.335324D+01  0.121806D+02
               256           257           258           259           260 
      1  -0.213131D+01  0.522146D+02  0.365584D+01 -0.410221D+02 -0.430443D+01
      2  -0.345811D+02 -0.448841D+02 -0.122407D+02  0.370999D+02 -0.106829D+01
      3   0.367124D+02 -0.733045D+01  0.858484D+01  0.392211D+01  0.537272D+01
      4   0.175232D+03 -0.124217D+02 -0.827622D+02  0.282249D+02  0.305211D+02
      5  -0.224116D+02 -0.504716D+00 -0.728496D+01 -0.202784D+02  0.136837D+02
      6   0.142382D+02 -0.214506D+01 -0.358435D+01  0.872705D+01 -0.150070D+02
               261           262           263           264           265 
      1  -0.142201D+02  0.283449D+02  0.131192D+02  0.112210D+02 -0.525369D+01
      2   0.437108D+01 -0.168540D+02 -0.204657D+02 -0.168070D+02  0.132559D+01
      3   0.984902D+01 -0.114909D+02  0.734650D+01  0.558598D+01  0.392810D+01
      4  -0.503111D+01 -0.180965D+02  0.318955D+02 -0.119527D+03  0.360481D+01
      5  -0.257260D+00 -0.206533D+02  0.265479D+01  0.111637D+02  0.131852D+02
      6   0.191908D+00  0.111110D+02 -0.315453D+01 -0.789811D+01 -0.381297D+01
               266           267           268           269           270 
      1  -0.207160D+02 -0.300348D+02 -0.109138D+02 -0.195009D+02 -0.254235D+02
      2   0.326299D+02  0.357715D+02  0.920644D+01  0.240848D+02  0.279526D+02
      3  -0.119139D+02 -0.573661D+01  0.170741D+01 -0.458383D+01 -0.252906D+01
      4  -0.305947D+02  0.159127D+03  0.700776D+01 -0.314595D+02  0.147229D+03
      5  -0.788890D+01 -0.489389D+01  0.266377D+02 -0.139727D+02 -0.285440D+02
      6   0.121025D+02  0.997308D+01 -0.143732D+02  0.198151D+02  0.272897D+02
               271           272           273           274           275 
      1  -0.116602D+03 -0.643264D+02  0.608412D+03  0.335249D+02  0.783405D+01
      2   0.169039D+03  0.566189D+02 -0.628619D+03 -0.122158D+02 -0.525834D+01
      3  -0.524377D+02  0.770750D+01  0.202064D+02 -0.213090D+02 -0.257571D+01
      4   0.993170D+03 -0.111550D+02 -0.429230D+04  0.176502D+03 -0.117701D+03
      5  -0.169324D+03 -0.160155D+02  0.558451D+02  0.149114D+03  0.198039D+02
      6  -0.114069D+03 -0.771460D+01  0.405517D+02  0.632572D+02  0.351454D+00
               276           277           278           279           280 
      1  -0.505204D+03  0.494934D+01  0.190350D+01  0.346562D+03  0.233918D+02
      2   0.559212D+03 -0.416124D+01  0.744305D+00 -0.343587D+03 -0.184038D+02
      3  -0.540086D+02 -0.788097D+00 -0.264781D+01 -0.297490D+01 -0.498800D+01
      4   0.415050D+04 -0.365244D+01 -0.642267D+01 -0.206403D+04  0.151984D+02
      5  -0.187558D+02 -0.146122D+02 -0.675668D+01  0.762188D+01  0.110940D+02
      6   0.127325D+02 -0.747613D+01  0.738130D+01 -0.121507D+01 -0.154959D+02
               281           282           283           284           285 
      1   0.140751D+02  0.343464D+02  0.190224D+02 -0.459431D+01 -0.788795D+01
      2  -0.189566D+02 -0.339514D+02 -0.167792D+02  0.987615D+01  0.847635D+01
      3   0.488154D+01 -0.395041D+00 -0.224321D+01 -0.528184D+01 -0.588401D+00
      4   0.413731D+02 -0.222959D+03 -0.337912D+02 -0.198850D+02  0.138637D+03
      5  -0.115223D+02  0.193383D+02  0.480306D+01  0.108905D+02 -0.871939D+00
      6   0.799915D+01 -0.108370D+02  0.655633D+01 -0.906459D+01  0.660397D+01
               286           287           288           289           290 
      1   0.537216D+01  0.100470D+02  0.253590D+02 -0.128316D+02 -0.239245D+02
      2  -0.115627D+02 -0.911336D+01 -0.351246D+02  0.162870D+02  0.250596D+02
      3   0.619058D+01 -0.933586D+00  0.976553D+01 -0.345540D+01 -0.113505D+01
      4   0.135709D+02  0.245726D+02 -0.206491D+03 -0.262753D+02  0.130847D+02
      5   0.150166D+02 -0.144172D+02  0.331971D+02 -0.147372D+01 -0.123273D+01
      6  -0.176655D+02  0.147468D+02 -0.255818D+02 -0.620208D+01 -0.514673D+01
               291           292           293           294           295 
      1   0.841688D+01  0.340781D+01 -0.505740D+02  0.778880D+01  0.835918D+00
      2  -0.464983D+01  0.950210D+01  0.662904D+02 -0.577269D+01 -0.147519D+01
      3  -0.376705D+01 -0.129099D+02 -0.157164D+02 -0.201611D+01  0.639268D+00
      4  -0.462365D+01 -0.353107D+02 -0.156623D+02  0.287138D+02  0.864211D+01
      5   0.335831D+00  0.165808D+01  0.344257D+01 -0.209399D+01 -0.162789D+00
      6   0.573227D+01 -0.361927D+01 -0.126641D+02  0.117127D+02  0.513437D+01
               296           297           298           299           300 
      1   0.854895D+01 -0.160075D+02 -0.124382D+02 -0.238815D+02 -0.846352D+01
      2  -0.632439D+01  0.128492D+02  0.161714D+02  0.250332D+02  0.470179D+01
      3  -0.222456D+01  0.315829D+01 -0.373326D+01 -0.115168D+01  0.376173D+01
      4  -0.218009D+00 -0.216754D+01 -0.266428D+02  0.130355D+02  0.503024D+01
      5  -0.631040D+01  0.328344D+01  0.145631D+01  0.122106D+01  0.351531D+00
      6   0.173825D+02 -0.962261D+01  0.652661D+01  0.514664D+01  0.573813D+01
               301           302           303           304           305 
      1   0.313556D+01 -0.505142D+02 -0.780758D+01 -0.780584D+00 -0.852653D+01
      2   0.100323D+02  0.662334D+02  0.577577D+01  0.148552D+01  0.630274D+01
      3  -0.131679D+02 -0.157191D+02  0.203182D+01 -0.704935D+00  0.222379D+01
      4  -0.311299D+02 -0.155601D+02 -0.286955D+02 -0.859229D+01  0.192742D+00
      5  -0.165674D+01 -0.345024D+01 -0.208023D+01 -0.119835D+00 -0.629811D+01
      6   0.398013D+01  0.126696D+02  0.118393D+02  0.522845D+01  0.173687D+02
               306           307           308           309           310 
      1  -0.159984D+02  0.276021D+02  0.142531D+02 -0.342863D+02  0.168849D+02
      2   0.128329D+02 -0.230304D+02 -0.191236D+02  0.338511D+02 -0.141906D+02
      3   0.316552D+01 -0.457175D+01  0.487057D+01  0.435226D+00 -0.269423D+01
      4  -0.217074D+01 -0.172186D+02  0.401820D+02  0.222378D+03 -0.133752D+02
      5  -0.327451D+01 -0.109727D+02  0.115235D+02  0.194544D+02 -0.495390D+01
      6   0.963359D+01  0.154586D+02 -0.802450D+01 -0.117425D+02 -0.628597D+01
               311           312           313           314           315 
      1  -0.466213D+01  0.784449D+01 -0.928100D+01 -0.101810D+02  0.253127D+02
      2   0.999814D+01 -0.839205D+01  0.157539D+02  0.926508D+01 -0.350580D+02
      3  -0.533601D+01  0.547557D+00 -0.647293D+01  0.915938D+00  0.974529D+01
      4  -0.192023D+02 -0.138251D+03  0.161042D+02 -0.235078D+02 -0.206226D+03
      5  -0.108972D+02 -0.936940D+00  0.150172D+02 -0.144156D+02 -0.332727D+02
      6   0.907873D+01  0.716295D+01 -0.176600D+02  0.147654D+02  0.263915D+02
               316           317           318           319           320 
      1   0.459157D+02  0.269599D+02  0.955040D+01  0.263069D+02  0.191061D+02
      2  -0.151198D+02 -0.102244D+01 -0.412418D+01  0.281413D+01  0.135186D+02
      3  -0.307959D+02 -0.259375D+02 -0.542622D+01 -0.291210D+02 -0.326247D+02
      4   0.556194D+02  0.553264D+02  0.124407D+02  0.775407D+02  0.791114D+02
      5   0.248034D+02  0.179918D+02  0.173617D+02  0.260222D+02  0.277783D+02
      6   0.155619D+02  0.148533D+02  0.800888D+01  0.205195D+02  0.247058D+02
               321           322           323           324           325 
      1   0.284025D+01 -0.608183D+00 -0.255835D+01  0.578534D+01 -0.206757D+02
      2   0.930017D+00 -0.195050D+01 -0.341810D+00 -0.394798D+01  0.987612D+01
      3  -0.377027D+01  0.255869D+01  0.290016D+01 -0.183736D+01  0.107995D+02
      4   0.168062D+02 -0.825242D+01  0.682585D+01 -0.179382D+02  0.195556D+01
      5   0.164586D+02  0.745595D+01  0.117309D+02  0.883540D+01  0.610808D+01
      6   0.138600D+02  0.387440D+01  0.922614D+01  0.645556D+01  0.914034D+01
               326           327           328           329           330 
      1   0.193218D+02  0.298512D+02  0.739847D+01 -0.951950D+01 -0.109488D+02
      2  -0.958044D+01 -0.663697D+01 -0.280353D+01  0.681316D+01  0.692223D+01
      3  -0.974138D+01 -0.232142D+02 -0.459494D+01  0.270633D+01  0.402661D+01
      4  -0.195862D+00  0.855287D+01  0.697837D+01  0.108696D+02  0.235895D+01
      5  -0.570477D+01 -0.189371D+02 -0.674278D-01  0.955142D+01  0.645846D+01
      6  -0.943969D+01 -0.182552D+02 -0.857555D+00  0.106691D+02  0.113564D+02
               331           332           333           334           335 
      1   0.113983D+02 -0.173733D+02 -0.347587D+02  0.177200D+03  0.291565D+01
      2  -0.154490D+01  0.742994D+01  0.153977D+01 -0.105738D+03 -0.145356D+01
      3  -0.985335D+01  0.994339D+01  0.332189D+02 -0.714618D+02 -0.146210D+01
      4   0.470358D+01  0.957246D+01 -0.166887D+02  0.127822D+02  0.146265D+02
      5  -0.120093D+01  0.111417D+02  0.282258D+02  0.763172D+02  0.964860D+00
      6  -0.571452D+01  0.149270D+02  0.238031D+02  0.220357D+01  0.351850D+01
               336           337           338           339           340 
      1   0.428172D+02 -0.143064D+01  0.108414D+02 -0.405236D+01  0.194146D+02
      2  -0.305802D+02  0.186011D+01 -0.493154D+01  0.410125D+01 -0.161744D+02
      3  -0.122370D+02 -0.429473D+00 -0.590989D+01 -0.488893D-01 -0.324020D+01
      4   0.216982D+00  0.289628D+02  0.200704D+01  0.181076D+02  0.117789D+02
      5   0.390133D+02 -0.406573D+00  0.682707D+01 -0.756753D+00  0.297281D+02
      6   0.254098D+01  0.447674D+01  0.106702D+01  0.379654D+01  0.255895D+01
               341           342           343           344           345 
      1  -0.480838D+00  0.178436D+02  0.862080D+01 -0.549889D+01  0.189939D+02
      2   0.228687D+01 -0.149333D+02 -0.809349D+01 -0.112383D+00 -0.294208D+01
      3  -0.180603D+01 -0.291039D+01 -0.527306D+00  0.561128D+01 -0.160519D+02
      4   0.213170D+01 -0.310173D+01 -0.413459D+01 -0.598907D+01 -0.307137D+01
      5  -0.583621D+00  0.171171D+02  0.943557D+01  0.413441D+01 -0.121502D+02
      6   0.199147D+01  0.289430D+00 -0.106826D+01 -0.240843D+01  0.914989D+00
               346           347           348           349           350 
      1  -0.557393D+01 -0.983831D+01  0.669664D+01  0.963073D+01  0.636238D+01
      2   0.503749D+01  0.396274D+00  0.907310D+01 -0.752783D+01  0.625143D+01
      3   0.536437D+00  0.944204D+01 -0.157697D+02 -0.210290D+01 -0.126138D+02
      4  -0.148604D+00 -0.155345D+02  0.314612D+02 -0.819198D+01  0.142991D+02
      5  -0.615979D+01  0.163806D+02 -0.295683D+02  0.105294D+02 -0.213069D+02
      6   0.573143D+00 -0.709037D+01  0.892493D+01 -0.123671D+01  0.732018D+01
               351           352           353           354           355 
      1  -0.203601D+02  0.462184D+02 -0.300847D+02 -0.595046D+01 -0.409136D+02
      2  -0.184210D+02 -0.195381D+02  0.137527D+02  0.322105D+01  0.172858D+02
      3   0.387811D+02 -0.266803D+02  0.163320D+02  0.272941D+01  0.236278D+02
      4  -0.289433D+02 -0.203914D+02  0.315277D+02  0.853303D+01  0.596455D+02
      5   0.556970D+02 -0.603536D+01  0.413632D+01  0.123549D+02  0.534286D+01
      6  -0.833125D+01  0.149621D+01 -0.778941D+00 -0.411228D+00 -0.169243D+01
               356           357           358           359           360 
      1   0.205767D+02 -0.141436D+01 -0.635899D+01  0.767668D+01  0.150020D+02
      2  -0.119261D+01  0.313544D+01  0.145317D+01 -0.358727D+01 -0.108008D+02
      3  -0.193841D+02 -0.172108D+01  0.490582D+01 -0.408942D+01 -0.420123D+01
      4  -0.533730D+02  0.154283D+02 -0.577868D+01 -0.104714D+02 -0.243853D+02
      5  -0.609748D+01 -0.496059D+01  0.205823D+02 -0.809011D+01 -0.602760D+01
      6   0.101805D+01  0.382327D+01 -0.233551D+01  0.462956D+01  0.685877D+00
               361           362           363           364           365 
      1  -0.488705D+02 -0.188704D+02 -0.163043D+02 -0.188815D+02 -0.117963D+02
      2   0.237095D+02  0.109827D+02 -0.285852D+01  0.103095D+02  0.412503D+01
      3   0.251610D+02  0.788768D+01  0.191628D+02  0.857196D+01  0.767123D+01
      4  -0.137926D+02 -0.839159D+01  0.928529D+01 -0.531422D+01 -0.631453D+01
      5   0.219674D+02  0.111341D+02 -0.105430D+02  0.115627D+02 -0.169547D+01
      6   0.723433D+01  0.535001D+01  0.635250D+00  0.314250D+01  0.354189D+01
               366           367           368           369           370 
      1  -0.422393D+01 -0.540200D+01 -0.941838D-01 -0.116787D+02 -0.208631D+01
      2  -0.124052D+01 -0.287658D+01 -0.290251D+01  0.472634D+01 -0.162496D+01
      3   0.546445D+01  0.827858D+01  0.299669D+01  0.695236D+01  0.371127D+01
      4   0.115857D+02  0.104805D+02 -0.212221D+01 -0.567406D+01  0.786982D+01
      5  -0.526982D+01 -0.647119D+01 -0.432158D+01  0.535643D+01 -0.966991D+01
      6   0.589309D+01  0.285042D+00  0.328031D+01  0.104479D+01 -0.339215D+01
               371           372           373           374           375 
      1   0.394848D+01 -0.998759D+01  0.146584D+01 -0.132221D+02  0.188636D+02
      2  -0.134070D+01  0.678779D+01 -0.387208D+01  0.294179D+01  0.662512D+01
      3  -0.260779D+01  0.319979D+01  0.240624D+01  0.102803D+02 -0.254887D+02
      4   0.494004D+01  0.216214D+01  0.153915D+02  0.296631D+02 -0.278496D+02
      5  -0.139588D+01  0.117197D+02 -0.132076D+02 -0.277268D+02  0.412792D+02
      6  -0.144561D+01  0.359512D+00 -0.876557D+01 -0.267982D+02  0.290311D+02
               376           377           378           379           380 
      1  -0.405166D+01  0.122351D+02 -0.179941D+02  0.336493D+02 -0.171222D+02
      2   0.820255D+01  0.340686D+01 -0.143738D+02 -0.288921D+02  0.143774D+02
      3  -0.415089D+01 -0.156420D+02  0.323679D+02 -0.475722D+01  0.274473D+01
      4  -0.620882D+01 -0.180133D+02  0.214732D+02 -0.210011D+02  0.181956D+02
      5   0.185678D+02  0.224885D+02 -0.453183D+02 -0.420170D+02  0.217362D+02
      6   0.536873D+01  0.203982D+02 -0.257126D+02  0.103234D+02 -0.886576D+01
               381           382           383           384           385 
      1  -0.193399D+02 -0.234205D+02  0.107977D+02  0.946842D+01 -0.916101D+01
      2   0.251902D+02  0.210903D+02 -0.134056D+02 -0.176689D+02  0.166491D+02
      3  -0.585026D+01  0.233019D+01  0.260795D+01  0.820049D+01 -0.748806D+01
      4   0.272955D+02  0.239205D+02 -0.272769D+02 -0.141484D+02  0.105922D+02
      5   0.417191D+02  0.341139D+02 -0.300058D+02 -0.347199D+02  0.314572D+02
      6  -0.681612D+01 -0.131073D+02  0.141743D+02  0.160423D+02 -0.615413D+01
               386           387           388           389           390 
      1   0.467406D+01  0.732969D+01  0.453913D+02  0.977016D+01  0.225889D+02
      2  -0.903461D+01 -0.201004D+02 -0.193643D+02 -0.990581D+00 -0.696325D+01
      3   0.436055D+01  0.127708D+02 -0.260270D+02 -0.877958D+01 -0.156256D+02
      4  -0.133887D+02 -0.404371D+01  0.136211D+02  0.143363D+02  0.211490D+02
      5  -0.160172D+02 -0.378280D+02  0.204551D+02  0.101648D+02  0.190934D+02
      6   0.100012D+02  0.792172D+01  0.601516D+01  0.215870D+01  0.388646D+01
               391           392           393           394           395 
      1   0.991848D+01  0.137771D+02  0.117184D+02  0.521907D+02  0.179961D+02
      2   0.126132D+01 -0.126356D+01 -0.202165D+01 -0.196925D+02 -0.343753D+01
      3  -0.111798D+02 -0.125136D+02 -0.969676D+01 -0.324982D+02 -0.145586D+02
      4   0.219310D+02  0.199906D+02  0.864513D+01  0.292455D+02  0.176845D+02
      5   0.115373D+02  0.655697D+01  0.147858D+02  0.232448D+02  0.148574D+02
      6   0.111347D+01  0.141236D+01  0.636869D+01  0.521464D+01  0.525082D+01
               396           397           398           399           400 
      1   0.228905D+02  0.112414D+03 -0.308109D+02 -0.270442D+02 -0.102329D+03
      2  -0.561792D+01 -0.680898D+02  0.195656D+02  0.172013D+02  0.623837D+02
      3  -0.172726D+02 -0.443237D+02  0.112453D+02  0.984288D+01  0.399449D+02
      4   0.174732D+02 -0.183348D+02  0.164199D+02 -0.243044D+02  0.292862D+02
      5   0.481930D+02 -0.429569D+02  0.123082D+02  0.266756D+02  0.418567D+02
      6   0.112175D+02  0.372602D+01 -0.204588D+01  0.860782D+00 -0.408591D+01
               401           402           403           404           405 
      1   0.289865D+02  0.275947D+02 -0.441725D+02  0.109499D+02  0.283909D+02
      2  -0.189456D+02 -0.208134D+02  0.313926D+02 -0.944445D+01 -0.204046D+02
      3  -0.100409D+02 -0.678127D+01  0.127799D+02 -0.150543D+01 -0.798639D+01
      4  -0.242320D+02 -0.172406D+02  0.322058D+01 -0.124583D+02  0.136381D+01
      5  -0.170686D+02 -0.209046D+02  0.433964D+02 -0.571594D+01 -0.251491D+02
      6   0.346086D+01  0.358756D+01  0.208692D+01  0.438080D+01 -0.495660D+00
               406           407           408           409           410 
      1   0.112411D+02  0.699427D+01 -0.130937D+02  0.211721D+02  0.846245D+01
      2  -0.430367D+01 -0.171980D+01  0.749611D+01 -0.447322D+01  0.968389D+01
      3  -0.693745D+01 -0.527448D+01  0.559757D+01 -0.166989D+02 -0.181463D+02
      4   0.170470D+02  0.121886D+02  0.488707D+00  0.466477D+02  0.641987D+02
      5  -0.137452D+02 -0.470104D+01  0.986222D+01 -0.241194D+02 -0.381559D+02
      6  -0.531870D+01 -0.247160D+01  0.217246D+01 -0.146891D+02 -0.253977D+02
               411           412           413           414           415 
      1  -0.349959D+00 -0.264368D+02 -0.171047D+01  0.899579D+01 -0.222221D+02
      2  -0.337493D+01  0.143842D+02 -0.247959D+01 -0.692506D+01  0.247411D+02
      3   0.372489D+01  0.120527D+02  0.419006D+01 -0.207073D+01 -0.251901D+01
      4  -0.414790D+02 -0.299418D+02 -0.392545D+02  0.345944D+02 -0.624362D+01
      5   0.343751D+02  0.352174D+02  0.344253D+02 -0.409189D+02  0.596818D+01
      6   0.200069D+02  0.137210D+02  0.203196D+02 -0.202596D+02  0.583279D+01
               416           417           418           419           420 
      1   0.340124D+02  0.794969D+01  0.168744D+02 -0.312536D+02 -0.143248D+02
      2  -0.369135D+02 -0.967795D+01 -0.172003D+02  0.420615D+02  0.168903D+02
      3   0.290110D+01  0.172826D+01  0.325916D+00 -0.108080D+02 -0.256545D+01
      4  -0.639555D-01  0.178493D+02 -0.257340D+01  0.989829D+01  0.241146D+02
      5  -0.704453D+01 -0.834240D+01 -0.406271D+01  0.916507D+01  0.374142D+01
      6  -0.557096D+01 -0.114064D+02 -0.396023D+01  0.803036D+01  0.701449D+01
               421           422           423           424           425 
      1   0.134468D+02 -0.233144D+02 -0.189734D+02  0.307440D+02  0.919708D+01
      2  -0.126896D+02  0.299550D+02  0.157639D+02  0.797328D+01  0.247112D+02
      3  -0.757251D+00 -0.664068D+01  0.320951D+01 -0.387173D+02 -0.339083D+02
      4   0.429459D+01  0.107407D+02  0.489376D+01  0.696730D+02  0.653965D+02
      5  -0.637232D+01  0.815282D+01  0.820178D+01 -0.125934D+02 -0.110755D+02
      6  -0.834669D+01  0.111367D+02  0.101465D+02 -0.770494D+01 -0.103392D+02
               426           427           428           429           430 
      1   0.226778D+00  0.628169D+01  0.125729D+00  0.170741D+01  0.272627D+01
      2  -0.388059D+01  0.181474D+02  0.344785D+02 -0.458234D+01 -0.210216D+01
      3   0.365381D+01 -0.244291D+02 -0.346043D+02  0.287493D+01 -0.624107D+00
      4  -0.103709D+02  0.547079D+02  0.636955D+02 -0.315811D+02 -0.645755D+01
      5   0.837761D+01 -0.819156D+01 -0.786093D+01  0.752658D+01  0.730805D+01
      6   0.724382D+01 -0.672241D+01 -0.866355D+01  0.772607D+01  0.592801D+01
               431           432           433           434           435 
      1  -0.155164D+01 -0.279651D+01 -0.107887D+02  0.125635D+02 -0.169862D+02
      2   0.287355D+01  0.488312D+01  0.680616D+01 -0.902913D+01  0.478070D+01
      3  -0.132191D+01 -0.208661D+01  0.398259D+01 -0.353437D+01  0.122055D+02
      4  -0.153690D+01  0.226570D+02  0.966587D+00  0.242331D+01  0.645759D+01
      5   0.892944D+01 -0.492726D+01 -0.250459D+01  0.140168D+01 -0.866757D+01
      6   0.948572D+01 -0.522113D+01 -0.671524D+01  0.479249D+01 -0.152230D+02
               436           437           438           439           440 
      1   0.105795D+01 -0.542020D+01  0.302262D+01 -0.958793D+01  0.180889D+02
      2  -0.483994D+00  0.325606D+01 -0.520537D+01  0.220020D+01 -0.154302D+02
      3  -0.573953D+00  0.216414D+01  0.218275D+01  0.738772D+01 -0.265870D+01
      4   0.238965D+01 -0.117350D+01 -0.358778D+01 -0.520290D+01 -0.114902D+02
      5  -0.121171D+01 -0.473578D+01  0.123664D+01 -0.172035D+01  0.114379D+02
      6   0.101425D+00 -0.502724D+01  0.658073D+01 -0.751380D+01  0.193581D+02
               441           442           443           444           445 
      1  -0.373305D+02 -0.229908D+01  0.392541D+01  0.100010D+02  0.146759D+01
      2   0.584773D+01 -0.145655D+01 -0.128557D+01 -0.673201D+01 -0.388375D+01
      3   0.314827D+02  0.375564D+01 -0.263984D+01 -0.326900D+01  0.241616D+01
      4   0.106207D+02  0.826197D+01  0.489091D+01 -0.214157D+01  0.149202D+02
      5  -0.359030D+02  0.951113D+01  0.134069D+01  0.116264D+02  0.131017D+02
      6  -0.418683D+02  0.330784D+01  0.140142D+01  0.275582D+00  0.870068D+01
               446           447           448           449           450 
      1  -0.133657D+02 -0.190025D+02  0.399170D+01 -0.123017D+02 -0.180369D+02
      2   0.305065D+01 -0.655521D+01 -0.811584D+01 -0.336798D+01 -0.142996D+02
      3   0.103151D+02  0.255577D+02  0.412414D+01  0.156697D+02  0.323365D+02
      4   0.296478D+02  0.279642D+02  0.637468D+01  0.179965D+02  0.213720D+02
      5   0.276815D+02  0.411986D+02  0.184967D+02  0.224231D+02  0.451324D+02
      6   0.268369D+02  0.290014D+02  0.532675D+01  0.203888D+02  0.256687D+02
               451           452           453           454           455 
      1  -0.491086D+02 -0.188475D+02  0.162192D+02 -0.192541D+02 -0.118772D+02
      2   0.240231D+02  0.109798D+02  0.289185D+01  0.107413D+02  0.417652D+01
      3   0.250855D+02  0.786774D+01 -0.191110D+02  0.851283D+01  0.770069D+01
      4  -0.124549D+02 -0.834864D+01 -0.903697D+01 -0.263978D+01 -0.624764D+01
      5  -0.220879D+02 -0.111238D+02 -0.105394D+02 -0.116272D+02  0.166180D+01
      6  -0.732749D+01 -0.536855D+01  0.655117D+00 -0.321211D+01 -0.356464D+01
               456           457           458           459           460 
      1   0.417053D+01  0.537851D+01  0.511343D-01 -0.116396D+02  0.333746D+02
      2   0.124459D+01  0.291002D+01  0.291490D+01  0.475651D+01 -0.286312D+02
      3  -0.541512D+01 -0.828854D+01 -0.296604D+01  0.688311D+01 -0.474342D+01
      4  -0.116728D+02 -0.102706D+02  0.215582D+01 -0.563439D+01 -0.190655D+02
      5  -0.530813D+01 -0.659387D+01 -0.436683D+01 -0.539481D+01  0.419755D+02
      6   0.596688D+01  0.326578D+00  0.327523D+01 -0.100831D+01 -0.103529D+02
               461           462           463           464           465 
      1  -0.170411D+02  0.193027D+02 -0.235874D+02  0.106999D+02 -0.936225D+01
      2   0.143631D+02 -0.252794D+02  0.213495D+02 -0.133479D+02  0.176105D+02
      3   0.267804D+01  0.597669D+01  0.223785D+01  0.264803D+01 -0.824825D+01
      4   0.182020D+02 -0.273676D+02  0.255994D+02 -0.271335D+02  0.139478D+02
      5  -0.217600D+02  0.418094D+02 -0.340255D+02  0.299427D+02 -0.347777D+02
      6   0.881520D+01 -0.675044D+01  0.130738D+02 -0.141637D+02  0.160887D+02
               466           467           468           469           470 
      1   0.938137D+01 -0.467630D+01  0.733873D+01  0.106969D+02  0.699640D+01
      2  -0.169770D+02  0.908498D+01 -0.202237D+02 -0.389690D+01 -0.172590D+01
      3   0.759563D+01 -0.440868D+01  0.128849D+02 -0.680001D+01 -0.527050D+01
      4  -0.121630D+02  0.133335D+02 -0.397983D+01  0.182210D+02  0.122458D+02
      5   0.315184D+02 -0.160633D+02  0.380576D+02  0.136839D+02  0.475209D+01
      6  -0.618152D+01  0.997861D+01 -0.796907D+01  0.528245D+01  0.249179D+01
               471           472           473           474           475 
      1   0.129682D+02  0.212206D+02  0.838593D+01  0.358546D+00  0.261009D+02
      2  -0.737094D+01 -0.461195D+01  0.966471D+01  0.337121D+01 -0.142318D+02
      3  -0.559726D+01 -0.166086D+02 -0.180506D+02 -0.372975D+01 -0.118690D+02
      4   0.393337D+00  0.459645D+02  0.640854D+02  0.415902D+02  0.299592D+02
      5   0.987955D+01  0.241937D+02  0.381722D+02  0.344524D+02  0.351936D+02
      6   0.220473D+01  0.146588D+02  0.254169D+02  0.200266D+02  0.136689D+02
               476           477           478           479           480 
      1   0.165825D+01  0.898081D+01  0.112425D+03 -0.308891D+02  0.270399D+02
      2   0.250818D+01 -0.696650D+01 -0.685012D+02  0.196186D+02 -0.172357D+02
      3  -0.416644D+01 -0.201432D+01 -0.439237D+02  0.112705D+02 -0.980416D+01
      4   0.392304D+02  0.347590D+02 -0.231177D+02  0.163233D+02  0.240529D+02
      5   0.344077D+02  0.409564D+02  0.428503D+02 -0.124286D+02  0.267899D+02
      6   0.203156D+02  0.202448D+02 -0.375930D+01  0.200172D+01  0.713933D+00
               481           482           483           484           485 
      1  -0.102340D+03  0.290315D+02 -0.275831D+02  0.441974D+02 -0.109704D+02
      2   0.623675D+02 -0.189747D+02  0.208214D+02 -0.314763D+02  0.945510D+01
      3   0.399723D+02 -0.100568D+02  0.676168D+01 -0.127210D+02  0.151534D+01
      4   0.289272D+02 -0.243150D+02  0.172149D+02 -0.380994D+01  0.125098D+02
      5  -0.419868D+02  0.170880D+02 -0.209790D+02  0.432777D+02 -0.574762D+01
      6   0.413816D+01 -0.349429D+01  0.359802D+01  0.202600D+01  0.440880D+01
               486           487           488           489           490 
      1   0.283678D+02  0.455420D+02  0.973724D+01 -0.225715D+02  0.100200D+02
      2  -0.203672D+02 -0.193845D+02 -0.949110D+00  0.694726D+01  0.120887D+01
      3  -0.800058D+01 -0.261575D+02 -0.878813D+01  0.156242D+02 -0.112288D+02
      4   0.127678D+01  0.147305D+02  0.144012D+02 -0.213999D+02  0.217346D+02
      5   0.253067D+02 -0.204709D+02 -0.101697D+02  0.192727D+02 -0.115977D+02
      6   0.468649D+00 -0.603859D+01 -0.215206D+01  0.392365D+01 -0.115760D+01
               491           492           493           494           495 
      1   0.137206D+02 -0.118235D+02 -0.522443D+02 -0.180569D+02  0.229636D+02
      2  -0.125143D+01  0.212178D+01  0.197319D+02  0.350048D+01 -0.571020D+01
      3  -0.124691D+02  0.970175D+01  0.325124D+02  0.145564D+02 -0.172534D+02
      4   0.199271D+02 -0.869366D+01 -0.290776D+02 -0.176399D+02  0.172619D+02
      5  -0.650847D+01  0.147609D+02  0.232927D+02  0.147970D+02 -0.481417D+02
      6  -0.136706D+01  0.634945D+01  0.524914D+01  0.520935D+01 -0.112000D+02
               496           497           498           499           500 
      1   0.177619D+03  0.284394D+01 -0.428501D+02 -0.223388D+01  0.108560D+02
      2  -0.105916D+03 -0.145344D+01  0.305246D+02  0.248572D+01 -0.490339D+01
      3  -0.717033D+02 -0.139050D+01  0.123255D+02 -0.251838D+00 -0.595258D+01
      4   0.128421D+02  0.146270D+02 -0.299831D+00  0.308590D+02  0.210255D+01
      5  -0.762986D+02 -0.924715D+00  0.388471D+02  0.384987D+00 -0.677550D+01
      6  -0.216387D+01 -0.344548D+01  0.243967D+01 -0.456928D+01 -0.110394D+01
               501           502           503           504           505 
      1   0.405869D+01 -0.191230D+02  0.562438D+00  0.178821D+02  0.891981D+01
      2  -0.406723D+01  0.159552D+02 -0.235014D+01 -0.149720D+02 -0.837488D+01
      3   0.853450D-02  0.316777D+01  0.178770D+01 -0.291016D+01 -0.544930D+00
      4  -0.178707D+02 -0.111213D+02 -0.212391D+01 -0.346120D+01 -0.575819D+01
      5  -0.760187D+00  0.296931D+02 -0.673479D+00 -0.170079D+02 -0.946792D+01
      6   0.388450D+01  0.257726D+01  0.197741D+01 -0.233194D+00  0.112247D+01
               506           507           508           509           510 
      1  -0.559518D+01 -0.189187D+02 -0.575189D+01 -0.977503D+01 -0.658674D+01
      2  -0.509635D-01  0.297414D+01  0.530266D+01  0.358469D+00 -0.918398D+01
      3   0.564614D+01  0.159446D+02  0.449229D+00  0.941656D+01  0.157707D+02
      4  -0.605221D+01  0.319662D+01  0.182541D+01 -0.154888D+02 -0.316088D+02
      5  -0.409178D+01 -0.120943D+02  0.627559D+01 -0.164273D+02 -0.296691D+02
      6   0.240722D+01  0.901474D+00 -0.560402D+00  0.705625D+01  0.896252D+01
               511           512           513           514           515 
      1  -0.979033D+01 -0.621088D+01 -0.203357D+02 -0.208779D+02  0.193298D+02
      2   0.771336D+01 -0.637445D+01 -0.184532D+02  0.101304D+02 -0.956362D+01
      3   0.207697D+01  0.125853D+02  0.387889D+02  0.107475D+02 -0.976619D+01
      4   0.906106D+01 -0.142576D+02 -0.288052D+02  0.359268D+01 -0.129351D+00
      5   0.106234D+02 -0.213422D+02 -0.558334D+02 -0.604875D+01  0.569916D+01
      6  -0.127640D+01  0.731685D+01  0.836924D+01 -0.916993D+01  0.941786D+01
               516           517           518           519           520 
      1  -0.297998D+02  0.746139D+01 -0.952617D+01  0.109233D+02 -0.116301D+02
      2   0.660611D+01 -0.293553D+01  0.678201D+01 -0.688238D+01  0.198336D+01
      3   0.231937D+02 -0.452586D+01  0.274416D+01 -0.404096D+01  0.964673D+01
      4  -0.862563D+01  0.587007D+01  0.108560D+02 -0.222244D+01 -0.101580D+01
      5  -0.190338D+02  0.102914D+00 -0.957089D+01  0.657028D+01 -0.137139D+01
      6  -0.181930D+02  0.915801D+00 -0.106565D+02  0.113592D+02 -0.574939D+01
               521           522           523           524           525 
      1   0.173733D+02 -0.347177D+02  0.460295D+02  0.269956D+02 -0.966888D+01
      2  -0.740648D+01  0.147515D+01 -0.152643D+02 -0.104489D+01  0.424140D+01
      3  -0.996683D+01  0.332426D+02 -0.307652D+02 -0.259507D+02  0.542748D+01
      4  -0.945964D+01 -0.170266D+02  0.550012D+02  0.552748D+02 -0.119706D+02
      5   0.111786D+02 -0.283911D+02 -0.248528D+02 -0.179547D+02  0.174106D+02
      6   0.149404D+02 -0.237443D+02 -0.155124D+02 -0.148217D+02  0.799107D+01
               526           527           528           529           530 
      1   0.262887D+02  0.192626D+02 -0.302313D+01 -0.141973D+00  0.248477D+01
      2   0.270683D+01  0.133807D+02 -0.848334D+00  0.269830D+01  0.406346D+00
      3  -0.289955D+02 -0.326433D+02  0.387147D+01 -0.255633D+01 -0.289112D+01
      4   0.764731D+02  0.790071D+02 -0.167510D+02  0.131075D+02 -0.665281D+01
      5  -0.258252D+02 -0.277752D+02  0.164745D+02  0.768574D+01  0.117425D+02
      6  -0.204988D+02 -0.246587D+02  0.138028D+02  0.384836D+01  0.919885D+01
               531           532           533           534           535 
      1   0.580505D+01  0.457803D+02 -0.300002D+02  0.593416D+01 -0.415329D+02
      2  -0.397830D+01 -0.192784D+02  0.137371D+02 -0.320244D+01  0.178275D+02
      3  -0.182675D+01 -0.265020D+02  0.162632D+02 -0.273172D+01  0.237053D+02
      4  -0.181180D+02 -0.198180D+02  0.315944D+02 -0.831149D+01  0.627746D+02
      5  -0.883224D+01  0.594146D+01 -0.414317D+01  0.123553D+02 -0.542514D+01
      6  -0.629430D+01 -0.168558D+01  0.765674D+00 -0.414603D+00  0.156721D+01
               536           537           538           539           540 
      1   0.204607D+02  0.141122D+01  0.576379D+01 -0.777045D+01  0.149857D+02
      2  -0.111192D+01 -0.308596D+01 -0.829309D+00  0.364951D+01 -0.107737D+02
      3  -0.193488D+02  0.167474D+01 -0.493448D+01  0.412094D+01 -0.421198D+01
      4  -0.532581D+02 -0.151650D+02  0.834766D+01  0.107066D+02 -0.244052D+02
      5   0.613574D+01 -0.504133D+01  0.205209D+02 -0.809460D+01  0.600735D+01
      6  -0.102485D+01  0.391560D+01 -0.249093D+01  0.463539D+01 -0.638888D+00
               541           542           543           544           545 
      1   0.308932D+02  0.923252D+01 -0.169106D+00  0.669681D+01  0.153042D+00
      2   0.783736D+01  0.246783D+02  0.384575D+01  0.175841D+02  0.344241D+02
      3  -0.387306D+02 -0.339108D+02 -0.367665D+01 -0.242809D+02 -0.345771D+02
      4   0.694525D+02  0.653663D+02  0.101070D+02  0.507347D+02  0.635535D+02
      5   0.125745D+02  0.110427D+02  0.838068D+01  0.810114D+01  0.787389D+01
      6   0.765781D+01  0.103389D+02  0.724100D+01  0.666976D+01  0.864897D+01
               546           547           548           549           550 
      1  -0.174687D+01 -0.243376D+01  0.153966D+01 -0.282161D+01 -0.225156D+02
      2   0.460059D+01  0.177370D+01 -0.284854D+01  0.489232D+01  0.250927D+02
      3  -0.285372D+01  0.660063D+00  0.130888D+01 -0.207071D+01 -0.257716D+01
      4   0.314468D+02  0.416922D+01  0.149044D+01  0.223943D+02 -0.356306D+01
      5   0.752618D+01  0.725591D+01  0.893948D+01  0.495237D+01 -0.597876D+01
      6   0.760974D+01  0.588535D+01  0.951229D+01  0.518557D+01 -0.585216D+01
               551           552           553           554           555 
      1   0.339643D+02 -0.795613D+01  0.163691D+02 -0.312891D+02  0.143567D+02
      2  -0.368704D+02  0.967125D+01 -0.166390D+02  0.421395D+02 -0.169260D+02
      3   0.290603D+01 -0.171512D+01  0.269982D+00 -0.108503D+02  0.256930D+01
      4   0.276937D-01 -0.180785D+02  0.870309D+00  0.100635D+02 -0.240079D+02
      5   0.704588D+01 -0.835474D+01  0.409389D+01 -0.917098D+01  0.375993D+01
      6   0.560855D+01 -0.113251D+02  0.403163D+01 -0.807436D+01  0.713089D+01
               556           557           558           559           560 
      1  -0.133345D+02  0.233770D+02 -0.190209D+02 -0.110971D+02  0.125685D+02
      2   0.125549D+02 -0.300268D+02  0.158126D+02  0.710589D+01 -0.903813D+01
      3   0.779554D+00  0.664976D+01  0.320835D+01  0.399119D+01 -0.353040D+01
      4  -0.515233D+01 -0.108253D+02  0.478015D+01  0.259720D+01  0.245575D+01
      5  -0.634680D+01  0.820450D+01 -0.825837D+01  0.253022D+01 -0.142331D+01
      6  -0.835257D+01  0.112034D+02 -0.102461D+02  0.675081D+01 -0.482905D+01
               561           562           563           564           565 
      1   0.169641D+02  0.992520D+00 -0.541593D+01 -0.301192D+01  0.980239D+01
      2  -0.475013D+01 -0.460504D+00  0.323661D+01  0.517983D+01 -0.241594D+01
      3  -0.122140D+02 -0.532016D+00  0.217931D+01 -0.216792D+01 -0.738645D+01
      4  -0.610641D+01  0.253776D+01 -0.115269D+01  0.342021D+01  0.373581D+01
      5  -0.870551D+01  0.118670D+01  0.474854D+01  0.127517D+01 -0.181747D+01
      6  -0.152148D+02 -0.102879D+00  0.505033D+01  0.663368D+01 -0.757905D+01
               566           567 
      1  -0.180669D+02 -0.372626D+02
      2   0.154215D+02  0.586781D+01
      3   0.264536D+01  0.313948D+02
      4   0.114220D+02  0.103413D+02
      5   0.114344D+02  0.358318D+02
      6   0.193389D+02  0.417451D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.614306D-03      0.156141D-02      0.520830D-02
   y         -0.578048D-03     -0.146925D-02     -0.490090D-02
   z          0.281598D+00      0.715751D+00      0.238749D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422617D+03      0.626253D+02      0.696801D+02
   yx         0.295664D+02      0.438129D+01      0.487484D+01
   yy         0.316040D+03      0.468322D+02      0.521079D+02
   zx         0.819783D-03      0.121479D-03      0.135164D-03
   zy        -0.159480D-02     -0.236325D-03     -0.262947D-03
   zz         0.242463D+03      0.359293D+02      0.399768D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.373539D+03      0.553527D+02      0.615882D+02
   aniso      0.235133D+03      0.348431D+02      0.387681D+02
   xx         0.515101D+03      0.763301D+02      0.849287D+02
   yx         0.378418D+02      0.560757D+01      0.623926D+01
   yy         0.347109D+03      0.514363D+02      0.572305D+02
   zx        -0.876861D-01     -0.129937D-01     -0.144575D-01
   zy        -0.457976D-02     -0.678651D-03     -0.755101D-03
   zz         0.258405D+03      0.382917D+02      0.426053D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          9.64193809          0.82634766         -2.67997633
     6          8.94131852         -0.45499251         -0.14137286
     6          6.09283864         -0.78194421         -0.18776795
     6          5.07478853          1.67941234          0.10391655
     6          7.28929933          3.49088855          0.33087119
     6          8.43184582          3.48369920         -2.39967293
     6          9.21528522          1.76187317          1.78326169
     8          2.80682065          2.36898848          0.11452140
    29          0.00064734          0.00075544         -0.21011595
     8          2.18531223         -2.92433103         -0.52426852
     6          4.58751585         -2.87236453         -0.50560052
     6          5.85616276         -5.47418362         -0.81949155
     9          7.07700847         -6.14521292          1.32068438
     6          6.65944760          6.06744584          1.38106303
     6         11.87949240          2.86175388          1.95332984
     6          8.36441631          1.07745601          4.46014675
     8         -2.80607520         -2.36644341          0.11635333
     6         -5.07426084         -1.67805281          0.09164855
     6         -7.28871676         -3.48989700          0.31511114
     6         -9.22395967         -1.75596462          1.74872517
     6         -8.94076551          0.45261057         -0.18402389
     6         -6.09214815          0.78139078         -0.21624144
     6         -9.62592075         -0.84040346         -2.72110672
     6         -8.41578663         -3.49569449         -2.42201596
     6         -8.38909951         -1.05880964          4.42740784
     6        -11.88832095         -2.85706783          1.90830827
     6         -6.66267123         -6.06106854          1.38044082
     6         -4.58616759          2.87110693         -0.53604024
     6         -5.85426001          5.47103349         -0.86700849
     9         -7.08554856          6.15072730          1.26439914
     8         -2.18389664          2.92401297         -0.54390400
     9         -7.58201617          5.41609351         -2.74498484
     9         -4.19473806          7.28194012         -1.40604087
     9          4.19855265         -7.28677068         -1.35868876
     9          7.59290940         -5.42799345         -2.68940148
     1         -9.80889801         -5.00456485         -2.57462559
     1         -6.95404112         -3.87868897         -3.82111978
     1        -11.66505777         -0.95967859         -2.97975923
     1         -8.86030024          0.20698807         -4.31605956
     1        -10.02497905          2.14256562          0.24453893
     1         -6.48630852         -0.27758800          4.49743944
     1         -8.44206073         -2.71425839          5.65642529
     1         -9.66974274          0.34837240          5.22517455
     1        -12.62657273         -3.50695050          0.10463919
     1        -13.18944659         -1.43249993          2.64177765
     1        -11.92609365         -4.45461638          3.21227947
     1         -5.24512988         -7.00349250          0.21907062
     1         -8.34453426         -7.25182375          1.44010907
     1         -5.89773364         -5.91784532          3.28902073
     1          8.40795932          2.73935816          5.68080194
     1          6.46199714          0.29467582          4.52199618
     1          9.64135851         -0.32432567          5.27317443
     1         11.91082614          4.46527046          3.25014951
     1         13.17503788          1.43954242          2.70105901
     1         12.62912907          3.50265102          0.15112056
     1         11.68263767          0.94332600         -2.92709938
     1          8.88502006         -0.22771994         -4.27469273
     1          6.97832207          3.86133360         -3.80875382
     1          9.82669699          4.99113155         -2.55081817
     1         10.02169567         -2.14393503          0.30076042
     1          8.34211241          7.25694305          1.44502744
     1          5.24958757          7.00594167          0.20720718
     1          5.88328682          5.93364335          3.28576877

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.281600D+00      0.715755D+00      0.238750D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422616D+03      0.626252D+02      0.696800D+02
   yx         0.295668D+02      0.438135D+01      0.487491D+01
   yy         0.316039D+03      0.468322D+02      0.521078D+02
   zx         0.333130D+00      0.493647D-01      0.549256D-01
   zy        -0.881275D-01     -0.130592D-01     -0.145303D-01
   zz         0.242464D+03      0.359295D+02      0.399769D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.373539D+03      0.553527D+02      0.615882D+02
   aniso      0.235133D+03      0.348431D+02      0.387681D+02
   xx         0.515101D+03      0.763300D+02      0.849286D+02
   yx         0.378422D+02      0.560764D+01      0.623934D+01
   yy         0.347109D+03      0.514362D+02      0.572305D+02
   zx         0.394614D+00      0.584757D-01      0.650630D-01
   zy        -0.104112D+00     -0.154279D-01     -0.171658D-01
   zz         0.258406D+03      0.382919D+02      0.426054D+02

 ----------------------------------------------------------------------
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 We're simply so accustomed to the marvels of everyday thought
 that we never wonder about it.
 -- Marvin Minsky in "Why people think computers are smart"
 Job cpu time:      18 days 20 hours 23 minutes 25.6 seconds.
 Elapsed time:       2 days  8 hours 52 minutes 52.3 seconds.
 File lengths (MBytes):  RWF=   7842 Int=      0 D2E=      0 Chk=    138 Scr=      2
 Normal termination of Gaussian 16 at Sat Aug 28 18:27:34 2021.
